54712470 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 8 8 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 3 3 3 4 4 4 5 5 5 6 6 7 7 10 10 11 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 19 19 20 21 21 21 8 35 9 6 9 13 5 8 9 10 22 23 7 11 8 12 14 15 17 24 18 25 26 27 28 16 29 19 30 20 21 18 31 32 20 33 34 36 37 38 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 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 4.666 6.3981 4.666 5.5321 6.3981 3.8 3.8 4.666 5.5321 7.2641 2.9061 2.9061 4.666 7.2641 8.1301 8.1301 2 2 8.9962 8.9962 8.1301 6.7966 5.9996 2.9132 2.9132 4.046 4.666 5.286 6.7272 8.1301 1.4643 1.4643 9.5331 9.5331 4.1291 7.5101 8.1301 8.7501 1.845 -1.155 -1.155 0.345 0.845 -0.655 0.345 0.845 -0.655 0.345 -1.1897 0.8797 -2.155 -0.655 0.845 -1.155 -0.6758 0.3658 0.345 -0.655 -2.155 1.32 1.32 -1.8096 1.4996 -2.155 -2.775 -2.155 -0.965 1.465 -0.9879 0.6779 0.655 -0.965 2.155 -2.155 -2.775 -2.155 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 7 7 10 10 11 12 14 15 16 17 19 6 9 8 9 7 11 8 12 14 15 17 18 16 19 20 18 20 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 443 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 00000371E07A3000000000000000000000000000000000000000306080000000000000814000001E00000800000C0C81980432C083000200880225525000820000212200088801086CC8082632C0919184700866C601C8D90798C8E08E00000200000200000000040000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-3-(m-tolylmethyl)quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-3-[(3-methylphenyl)methyl]-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-3-[(3-methylphenyl)methyl]quinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-3-[(3-methylphenyl)methyl]quinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-[(3-methylphenyl)methyl]-4-oxidanyl-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-3-(3-methylbenzyl)carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H17NO2/c1-12-6-5-7-13(10-12)11-15-17(20)14-8-3-4-9-16(14)19(2)18(15)21/h3-10,20H,11H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SHJQPCLFNXXCRT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 279.125928785 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H17NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 279.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC=C1)CC2=C(C3=CC=CC=C3N(C2=O)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC=C1)CC2=C(C3=CC=CC=C3N(C2=O)C)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 279.125928785 21 0 0 0 0 0 0 0 1 -1