54736741 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 8 8 7 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 2 2 3 3 3 4 4 4 4 5 5 5 6 6 7 7 7 8 8 9 9 9 10 10 11 12 13 13 14 15 15 15 16 16 17 17 18 11 12 37 6 8 11 5 6 19 20 7 21 22 23 24 9 25 26 10 13 15 27 28 12 16 14 14 17 29 30 31 32 33 18 34 18 35 36 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 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 6.3981 4.666 4.666 5.5321 5.5321 4.666 6.3981 3.8 6.3981 3.8 5.5321 4.666 2.9061 5.5321 7.2641 2.9061 2 2 6.1426 5.7441 4.9215 5.32 4.0555 4.454 7.0087 6.6101 5.7875 6.186 2.9132 6.069 6.9541 7.801 7.5741 2.9132 1.4643 1.4643 5.203 0.595 3.595 0.595 -0.905 -1.905 -0.405 -2.405 1.095 -3.405 2.095 1.095 2.595 0.5603 2.095 -3.905 2.6297 1.0742 2.1158 -1.0127 -0.3224 -1.7973 -2.4876 -0.2973 -0.9876 -2.5127 -1.8224 -3.2973 -3.9876 -0.0596 2.405 -4.4419 -4.215 -3.3681 3.2496 0.7621 2.4279 3.905 8 8 8 8 8 8 8 8 8 8 8 3 3 8 8 10 10 11 12 13 16 17 8 11 10 13 12 16 14 14 17 18 18 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 325 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0723000000000000000000000000000000000000000304000000000000000810000001E00000800000C0CC1980432C083000200880225525000820000212200088800086CC8082622C0919184700866C601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-hexyl-4-hydroxy-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-hexyl-4-hydroxy-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-hexyl-4-hydroxyquinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-hexyl-4-hydroxyquinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-hexyl-4-oxidanyl-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-hexyl-4-hydroxy-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H19NO2/c1-2-3-4-7-10-16-13-9-6-5-8-12(13)14(17)11-15(16)18/h5-6,8-9,11,17H,2-4,7,10H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ILFFWYQWNBYKQR-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 2021.05.07 245.141578849 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H19NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 245.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCN1C2=CC=CC=C2C(=CC1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCN1C2=CC=CC=C2C(=CC1=O)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 2021.05.07 245.141578849 18 0 0 0 0 0 0 0 1 -1