54676085 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 8 8 7 7 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 2 3 3 3 4 4 4 5 5 5 6 7 7 8 9 10 10 11 11 12 14 14 14 15 15 15 16 16 16 9 30 13 6 13 19 7 15 16 6 9 11 8 8 12 17 10 13 14 12 18 20 21 22 23 24 25 26 27 28 29 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 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 6.3981 8.1301 6.3981 2.868 5.532 5.532 3.732 4.6381 6.3981 7.2641 4.6381 3.732 7.2641 8.1301 2 2.8718 4.6453 4.6453 6.3981 3.1963 8.4401 8.6671 7.8201 2.3079 1.4619 1.6921 2.2518 2.8742 3.4918 6.935 1.8571 -1.1429 -1.1429 -1.1671 0.3571 -0.6429 -0.6637 -1.1776 0.8571 0.3571 0.8917 0.3779 -0.6429 0.8571 -0.6704 -2.1671 -1.7976 1.5117 -1.7629 0.69 0.3201 1.1671 1.394 -0.1323 -0.3625 -1.2086 -2.1695 -2.7871 -2.1647 2.1671 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 5 6 7 7 9 10 11 6 13 6 9 11 8 8 12 10 13 12 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 336 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0C81980432C083C00200880225525000820000212200088801086CC8082622C0D1D184700866D401C8D90790D0230E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-3-methyl-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-3-methyl-1H-quinolin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-3-methyl-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-3-methyl-1H-quinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-3-methyl-4-oxidanyl-1H-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-3-methyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H14N2O2/c1-7-11(15)9-5-4-8(14(2)3)6-10(9)13-12(7)16/h4-6H,1-3H3,(H2,13,15,16) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XPQWPECKQDBFCL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 218.105527694 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H14N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 218.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C2=C(C=C(C=C2)N(C)C)NC1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C2=C(C=C(C=C2)N(C)C)NC1=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 52.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 218.105527694 16 0 0 0 0 0 0 0 1 -1