70357188 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 8 8 7 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 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 13 13 13 14 14 15 15 17 17 18 18 18 19 12 37 16 5 7 8 16 38 39 6 20 21 9 22 23 11 24 25 10 14 13 26 27 12 15 12 16 18 28 29 17 30 19 31 19 32 33 34 35 36 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 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 39 4.666 6.3981 4.666 7.2641 4.666 5.5321 5.5321 3.8 5.5321 3.8 5.5321 4.666 6.3981 2.9061 2.9061 6.3981 2 6.3981 2 4.0555 4.454 6.1426 5.7441 5.7441 6.1426 4.9215 5.32 7.0087 6.6101 2.9132 2.9132 1.4643 5.7781 6.3981 7.0181 1.4643 4.1291 7.801 7.2641 3.345 3.345 0.345 1.845 -0.655 -1.155 0.845 0.845 -2.155 1.845 1.845 2.345 -2.655 0.3103 2.3797 2.345 0.8242 -3.655 1.8658 -0.5473 -1.2376 -1.2627 -0.5724 0.2624 0.9527 -2.0473 -2.7376 -2.7627 -2.0724 -0.3096 2.9996 0.5121 -3.655 -4.275 -3.655 2.1779 3.655 2.155 1.225 8 8 8 8 8 8 8 8 10 14 15 17 10 14 15 17 19 19 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 365 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0CC1980432C083400200880225525000820000212200088801086CC808262AC0D19184700866C001C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-pentyl-2H-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-pentyl-2H-quinoline-3-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-pentyl-2<I>H</I>-quinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-pentyl-2H-quinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-oxidanyl-1-pentyl-2H-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-amyl-4-hydroxy-2H-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H20N2O2/c1-2-3-6-9-17-10-12(15(16)19)14(18)11-7-4-5-8-13(11)17/h4-5,7-8,18H,2-3,6,9-10H2,1H3,(H2,16,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CKPXHNRGSZVWMR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.152477885 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H20N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.33 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCN1CC(=C(C2=CC=CC=C21)O)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCN1CC(=C(C2=CC=CC=C21)O)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 66.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.152477885 19 0 0 0 0 0 0 0 1 -1