58939763 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 44 45 46 47 48 8 8 7 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 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 14 14 15 15 16 17 18 18 18 19 19 19 20 20 22 22 22 17 48 21 5 6 7 13 21 38 8 23 24 9 25 26 12 14 10 27 28 11 29 30 18 31 32 19 33 34 13 35 15 16 36 16 17 37 20 39 40 41 42 43 44 21 22 45 46 47 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 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 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 8.9942 10.7263 5.4641 8.9942 4.5961 5.4679 6.3282 3.732 4.6038 2.8641 4.6077 7.2342 8.1282 6.3282 8.1282 7.2342 8.9942 2 3.7436 9.8602 9.8602 10.7263 4.9928 4.1958 5.6822 6.0781 3.3353 4.1324 4.3895 3.9937 3.2608 2.4637 4.822 5.2178 7.2414 5.7924 7.2414 8.9942 1.6879 1.4643 2.3121 3.4315 3.2079 4.0557 11.0363 11.2632 10.4163 9.5311 2.8604 -0.1396 -0.1637 -0.1396 0.3329 -1.1637 0.3396 -0.1704 -1.6671 0.3262 -2.6671 -0.1743 0.3604 1.3812 1.3604 1.8951 1.8604 -0.1771 -3.1704 1.3604 0.3604 1.8604 0.8094 0.8063 -1.7455 -1.0537 -0.6469 -0.6438 -1.0853 -1.7771 0.8027 0.7996 -3.2489 -2.557 -0.7942 1.6933 2.515 -0.7596 0.3586 -0.4892 -0.7128 -2.6347 -3.4825 -3.7061 1.3235 2.1704 2.3973 3.1704 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 12 13 14 15 15 17 20 13 21 12 14 13 15 16 16 17 20 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 411 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000304000000000000000810000001E00100800000C0CC1980432C083C00200880225525000820000212200088801086CC8082622C0D1D184700866D401C8D90790D0230E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dibutylamino)-4-hydroxy-3-methyl-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dibutylamino)-4-hydroxy-3-methyl-1H-quinolin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dibutylamino)-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-(dibutylamino)-4-hydroxy-3-methyl-1H-quinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dibutylamino)-3-methyl-4-oxidanyl-1H-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dibutylamino)-4-hydroxy-3-methyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H26N2O2/c1-4-6-10-20(11-7-5-2)14-8-9-15-16(12-14)19-18(22)13(3)17(15)21/h8-9,12H,4-7,10-11H2,1-3H3,(H2,19,21,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KTKWBKQDBQDZAZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 302.199428076 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H26N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 302.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCN(CCCC)C1=CC2=C(C=C1)C(=C(C(=O)N2)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCN(CCCC)C1=CC2=C(C=C1)C(=C(C(=O)N2)C)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 2021.05.07 302.199428076 22 0 0 0 0 0 0 0 1 -1