54705763 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 8 8 7 7 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 3 3 3 4 4 4 5 5 6 6 7 7 8 9 9 10 11 12 12 14 14 14 15 15 15 11 27 13 7 14 15 5 13 19 6 8 9 11 8 10 16 10 17 18 12 13 20 21 22 23 24 25 26 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 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 6.3981 8.1301 2.868 6.3981 5.532 5.532 3.732 4.6381 4.6381 3.732 6.3981 7.2641 7.2641 2 2.8718 4.6453 4.6453 3.1963 6.3981 7.801 2.3079 1.4619 1.6921 2.2518 2.8742 3.4918 6.935 1.8571 -1.1429 -1.1671 -1.1429 -0.6429 0.3571 -0.6637 -1.1776 0.8917 0.3779 0.8571 0.3571 -0.6429 -0.6704 -2.1671 -1.7976 1.5117 0.69 -1.7629 0.6671 -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 4 4 5 5 6 6 7 7 9 11 12 5 13 6 8 9 11 8 10 10 12 13 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 299 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 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0C81980432C083C00200880225525000820000212200088800086CC8082622C0D1D184700866D401C8D90790D0230E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-1H-quinolin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-1H-quinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-oxidanyl-1H-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H12N2O2/c1-13(2)7-3-4-8-9(5-7)12-11(15)6-10(8)14/h3-6H,1-2H3,(H2,12,14,15) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CZLKONBPNRCMGP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.089877630 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H12N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)C1=CC2=C(C=C1)C(=CC(=O)N2)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)C1=CC2=C(C=C1)C(=CC(=O)N2)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 2021.05.07 204.089877630 15 0 0 0 0 0 0 0 1 -1