15944878 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 8 8 8 8 7 7 7 7 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 3 -1 8 1 1 2 3 4 5 5 5 6 6 7 7 7 8 9 9 9 9 10 10 10 11 11 12 12 12 14 15 15 16 17 17 18 18 19 20 21 22 22 23 23 24 24 25 26 26 27 14 21 8 8 11 13 14 13 16 19 21 39 25 10 11 28 29 12 30 31 32 33 13 34 35 15 16 17 18 19 36 20 37 20 38 22 23 24 25 40 26 41 27 27 42 43 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 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 8.9942 4.5923 2.0116 3.7436 9.8602 8.9942 5.4641 2.8757 11.6602 11.6602 10.7542 10.7542 9.8602 8.9942 8.1282 8.1282 7.2342 7.2342 6.3282 6.3282 4.5961 3.732 3.7359 2.8641 2.8718 2 2.0038 12.2711 11.8693 11.8693 12.2711 11.1478 10.3496 10.3496 11.1478 7.2414 7.2414 5.7924 5.4665 4.274 2.8617 1.4619 1.4681 0.4986 -1.9739 2.5361 2.5294 -1.0014 -2.5014 -0.4773 2.0327 -0.9806 -2.0222 -0.4667 -2.5361 -2.0014 -0.5014 -1.0014 -2.0014 -0.4667 -2.5361 -0.9806 -2.0222 -0.9739 -0.4706 0.5294 -0.9672 1.0327 -0.4639 0.5361 -1.0867 -0.3969 -2.6059 -1.9161 0.0123 0.003 -3.0059 -3.0151 0.1532 -3.156 -2.3343 0.1427 0.8373 -1.5872 -0.7718 0.8482 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 14 15 15 16 17 18 19 22 22 23 24 25 26 13 14 13 16 15 16 17 18 19 20 20 23 24 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 659 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB8000000000000000000000000000000000000003C6081000000000000814000001E00140000000C08C1980431C083D04000A902277277008200012502002988013864CA08203AC0DD91842188609600C8C9C71C88008E00008040000200000001008000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-nitro-<I>N</I>-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-nitro-N-(11-oxidanylidene-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(11-keto-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)-3-nitro-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H16N4O4/c24-18(12-4-3-5-14(10-12)23(26)27)20-13-7-8-16-15(11-13)19(25)22-9-2-1-6-17(22)21-16/h3-5,7-8,10-11H,1-2,6,9H2,(H,20,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CMEBOQLOPXZYKI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.11715500 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H16N4O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C1 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 108 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.11715500 27 0 0 0 0 0 0 0 1 -1