2952123 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 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 1 2 2 2 3 3 4 4 5 5 5 6 6 6 7 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 18 19 32 9 12 22 7 9 8 9 8 29 30 7 8 10 11 13 20 14 21 15 16 14 23 24 17 25 18 26 19 27 19 28 31 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 2 1 2 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 3.5344 4.9338 3.2018 4.0678 3.2018 2.3358 2.3358 3.2018 4.0678 1.4418 1.4418 5.7998 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 6.6659 8.0688 3.7387 2.6648 8.0688 4.5344 0 5.836 5.836 4.336 2.836 4.336 5.336 3.836 5.336 3.8014 5.8707 5.336 4.3152 5.3568 4.336 5.836 3.836 5.336 4.336 3.1814 6.4906 6.456 4.0031 5.6689 4.026 6.456 3.216 5.646 2.526 2.526 4.026 0 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 6 7 10 11 12 12 13 15 16 17 18 7 9 8 9 7 8 10 11 13 14 15 16 14 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 265 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07380000400000000000000000000000000000000003C6080000000000000B1F400001C00100000000C08811E0031F0F6C81000A003266264008280292102A00998203064988828A2C0D9D184240868900248C8271080000E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N2-phenylquinazoline-2,4-diamine;hydrochloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N2-phenylquinazoline-2,4-diamine;hydrochloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-<I>N</I>-phenylquinazoline-2,4-diamine;hydrochloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-N-phenylquinazoline-2,4-diamine;hydrochloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N2-phenylquinazoline-2,4-diamine;hydrochloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-aminoquinazolin-2-yl)-phenyl-amine;hydrochloride InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12N4.ClH/c15-13-11-8-4-5-9-12(11)17-14(18-13)16-10-6-2-1-3-7-10;/h1-9H,(H3,15,16,17,18);1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RAMJTIDFCDOMHW-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 272.0828741 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H13ClN4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 272.73 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N.Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N.Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 63.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 272.0828741 19 0 0 0 0 0 0 0 2 -1