69244402 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 8 8 8 7 7 7 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 3 4 4 4 5 5 6 6 7 7 7 8 8 9 9 9 10 11 11 12 14 14 16 16 17 18 18 19 19 20 21 21 22 23 23 23 24 24 24 13 23 17 24 15 7 15 27 10 12 12 13 8 25 26 11 14 10 13 16 18 17 28 15 19 29 21 30 20 22 31 20 32 33 22 34 35 36 37 38 39 40 41 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 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 4.666 9.8622 6.3981 7.2641 4.666 5.5321 8.1301 8.9962 3.8 3.8 8.9962 5.5321 4.666 9.8622 6.3981 2.9061 9.8622 2.9061 10.7282 10.7282 2 2 5.5321 10.7282 8.5287 7.7316 7.2641 8.4592 9.8622 2.9132 2.9132 11.2651 11.2651 1.4643 1.4643 5.2221 6.069 5.8421 10.4182 11.2651 11.0382 -1.75 -1.75 2.25 0.75 1.25 -0.25 1.25 0.75 -0.25 0.75 -0.25 0.75 -0.75 1.25 1.25 -0.7847 -0.75 1.2847 0.75 -0.25 -0.2708 0.7708 -2.25 -2.25 1.725 1.725 0.13 -0.56 1.87 -1.4046 1.9046 1.06 -0.56 -0.5829 1.0829 -2.7869 -2.56 -1.7131 -2.7869 -2.56 -1.7131 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 8 8 9 9 9 10 11 14 16 17 18 19 21 10 12 12 13 11 14 10 13 16 18 17 19 21 20 22 20 22 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 420 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C6080000000000000B1F400001E00100000000C0CC19F0633D6F6C81400A803277274008288292322A00998A0BE6C988C6EA2C4F9FB9434286EC61BC8E827B0C0300E00000100000200000000020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methoxy-N-[(3-methoxyphenyl)methyl]quinazoline-2-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methoxy-N-[(3-methoxyphenyl)methyl]-2-quinazolinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methoxy-<I>N</I>-[(3-methoxyphenyl)methyl]quinazoline-2-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methoxy-N-[(3-methoxyphenyl)methyl]quinazoline-2-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methoxy-N-[(3-methoxyphenyl)methyl]quinazoline-2-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-m-anisyl-4-methoxy-quinazoline-2-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H17N3O3/c1-23-13-7-5-6-12(10-13)11-19-17(22)16-20-15-9-4-3-8-14(15)18(21-16)24-2/h3-10H,11H2,1-2H3,(H,19,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GTLDDYMBBXNBMV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.12699141 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H17N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC(=C1)CNC(=O)C2=NC3=CC=CC=C3C(=N2)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC(=C1)CNC(=O)C2=NC3=CC=CC=C3C(=N2)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 73.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.12699141 24 0 0 0 0 0 0 0 1 -1