69230047 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 17 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 5 6 6 7 7 8 8 9 10 10 11 11 12 13 13 14 14 15 16 16 17 18 18 19 19 20 21 21 22 22 23 23 24 25 25 26 26 27 27 28 28 29 6 9 32 9 17 12 17 6 7 11 30 31 8 13 14 16 10 12 18 15 33 21 19 34 15 35 36 20 37 22 23 38 20 39 41 24 40 25 26 24 42 43 27 44 28 45 29 46 29 47 1 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 2 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 8.9962 4.666 5.5321 4.666 5.5321 5.5321 6.3981 6.3981 4.666 3.8 4.666 3.8 7.292 5.5321 4.666 7.292 5.5321 2.9061 8.1981 8.1981 2.9061 6.3981 2 2 6.3981 7.2641 7.2641 8.1301 8.1301 6.1426 5.7441 4.1291 4.1291 7.2849 5.5321 4.1291 7.2849 2.9132 8.7338 2.9132 8.7338 1.4643 1.4643 5.8612 7.2641 7.2641 8.6671 4.0173 -0.4827 1.0173 2.5173 -1.9827 -0.9827 -2.4827 -3.4827 0.5173 1.0173 -2.4827 2.0173 -1.948 -3.9827 -3.4827 -4.0173 2.0173 0.4827 -2.4618 -3.5035 2.552 2.5173 0.9965 2.0382 3.5173 2.0173 4.0173 2.5173 3.5173 -1.0903 -0.4001 -0.7927 -2.1727 -1.328 -4.6027 -3.7927 -4.6373 -0.1373 -2.1498 3.172 -3.8156 0.6844 2.3502 3.8273 1.3973 4.6373 2.2073 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 7 7 8 8 9 10 10 11 12 13 14 16 18 19 21 22 22 23 25 26 27 28 9 17 12 17 7 11 8 13 14 16 10 12 18 15 21 19 15 20 23 20 24 25 26 24 27 28 29 29 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 520 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B00000400000000000000000000000000000000003C60C1820000000000F1F400001C02100000000C0AC11F2431F0F6C81000A003266264008280292107A00998A03866988828A2C1DBD1842408688002C8C8271080C00E84000200001200000800040000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-chlorophenyl)-N-(1-naphthylmethyl)quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-chlorophenyl)-N-(1-naphthalenylmethyl)-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-chlorophenyl)-<I>N</I>-(naphthalen-1-ylmethyl)quinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-chlorophenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-chlorophenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(4-chlorophenyl)quinazolin-4-yl]-(1-naphthylmethyl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C25H18ClN3/c26-20-14-12-18(13-15-20)24-28-23-11-4-3-10-22(23)25(29-24)27-16-19-8-5-7-17-6-1-2-9-21(17)19/h1-15H,16H2,(H,27,28,29) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KUDLSNHBQRVSMC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.1189253 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C25H18ClN3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.9 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=CC=C2CNC3=NC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=CC=C2CNC3=NC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 37.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.1189253 29 0 0 0 0 0 0 0 1 -1