6899079 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 8 7 7 7 7 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 2 2 2 3 3 4 5 5 6 6 6 7 8 10 10 11 11 12 12 12 13 13 14 15 15 16 17 17 18 18 19 19 20 9 4 8 9 7 8 15 16 20 7 9 10 11 12 13 21 14 22 23 24 25 14 26 27 16 28 17 18 29 19 30 20 31 32 2 1 1 1 1 2 2 1 2 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 4 -1 2 15 16 28 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 4.666 5.5321 4.666 6.3981 8.9962 3.8 3.8 5.5321 4.666 2.9061 2.9061 6.3981 2 2 7.2641 8.1301 8.1301 8.9962 9.8622 9.8622 2.9132 2.9132 6.7081 6.935 6.0881 1.4643 1.4643 7.2641 7.5932 8.9962 10.3991 10.3991 -1.2673 0.2327 1.7327 -0.2673 0.2327 0.2327 1.2327 1.2327 -0.2673 -0.302 1.7673 1.7327 0.2119 1.2535 0.2327 -0.2673 -1.2673 -1.7673 -1.2673 -0.2673 -0.922 2.3873 1.1957 2.0427 2.2696 -0.1002 1.5656 0.8527 -1.5773 -2.3873 -1.5773 0.0427 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 6 6 6 7 10 11 13 16 17 18 19 8 9 7 8 16 20 7 9 10 11 13 14 14 17 18 19 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 432 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371C073A0000000000000000000000000000000000000003C408000000000000081C000001E00080000000C08C19E043FC092081000A803377774009280213502201BD8213864D80820FAC0DD91842188608C00C8C9C71888008E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-3-[(E)-2-pyridylmethyleneamino]quinazolin-4-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-3-[(E)-2-pyridinylmethylideneamino]-4-quinazolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-3-[(<I>E</I>)-pyridin-2-ylmethylideneamino]quinazolin-4-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-3-[(E)-pyridin-2-ylmethylideneamino]quinazolin-4-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-3-[(E)-2-pyridylmethyleneamino]quinazolin-4-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H12N4O/c1-11-18-14-8-3-2-7-13(14)15(20)19(11)17-10-12-6-4-5-9-16-12/h2-10H,1H3/b17-10+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YRTUCWBOATZCEM-LICLKQGHSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.10111102 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H12N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=CC=N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 57.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.10111102 20 0 0 0 1 1 0 0 1 -1