2952346 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 17 9 7 7 7 7 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 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 11 11 12 12 13 13 14 14 15 16 16 17 17 18 19 19 20 32 18 10 12 23 8 10 9 10 9 29 30 8 9 11 13 14 21 16 17 15 22 15 24 25 18 26 19 27 20 20 28 31 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 1 1 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 3.5344 6.6659 4.9338 3.2018 4.0678 3.2018 2.3358 2.3358 3.2018 4.0678 1.4418 5.7998 1.4418 0.5357 0.5357 5.7998 6.6659 6.6659 7.5319 7.5319 1.449 1.449 4.9338 0 0 5.2629 6.6659 8.0688 3.7387 2.6648 8.0688 4.5344 0 2.8348 5.8348 5.8348 4.3348 2.8348 4.3348 5.3348 3.8348 5.3348 3.8001 5.3348 5.8694 4.314 5.3556 4.3348 5.8348 3.8348 5.3348 4.3348 3.1802 6.4894 6.4548 4.0019 5.6677 4.0248 6.4548 5.6448 2.5248 2.5248 4.0248 0 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 7 7 8 11 12 12 13 14 16 17 18 19 8 10 9 10 8 9 11 13 14 16 17 15 15 18 19 20 20 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 301 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07381000400000000000000000000000000000000003C6080000000000000B1F400001D00100000000C08811E0831F0F6C81000A003266264008280292102A00998203064988828A2C0D9D184240868900248C8271080000E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-<I>N</I>-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-N-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4-aminoquinazolin-2-yl)-(3-fluorophenyl)amine;hydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H11FN4.ClH/c15-9-4-3-5-10(8-9)17-14-18-12-7-2-1-6-11(12)13(16)19-14;/h1-8H,(H3,16,17,18,19);1H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AIJQZOIKFHECIG-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.0734523 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H12ClFN4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.72 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)F)N.Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)F)N.Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 63.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.0734523 20 0 0 0 0 0 0 0 2 -1