40484300 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 8 8 7 6 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 2 3 3 3 4 4 5 5 5 6 6 6 7 7 9 9 9 11 11 11 12 12 13 13 14 14 15 15 15 16 16 17 18 18 19 19 20 20 21 21 22 8 10 4 5 8 7 12 11 23 24 8 9 10 10 14 13 25 26 15 27 28 16 29 18 19 17 30 31 32 33 17 34 35 20 36 21 37 22 38 22 39 40 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 2 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 6.3981 4.666 4.666 3.8 4.666 5.5321 3.8 5.5321 6.3981 4.666 5.5321 2.9061 7.2641 2.9061 5.5321 2 2 8.1301 7.2641 8.9962 8.1301 8.9962 4.0555 4.454 6.7966 5.9996 6.1426 5.7441 2.9132 2.9132 4.9121 5.5321 6.1521 1.4643 1.4643 8.1301 6.7272 9.5331 8.1301 9.5331 -0.25 2.75 -0.25 0.25 -1.25 1.25 1.25 0.25 1.75 1.75 -1.75 -0.2847 1.25 1.7847 -2.75 0.2292 1.2708 1.75 0.25 1.25 -0.25 0.25 -1.1423 -1.8326 2.225 2.225 -1.8577 -1.1674 -0.9046 2.4046 -2.75 -3.37 -2.75 -0.0829 1.5829 2.37 -0.06 1.56 -0.87 -0.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 7 7 12 13 13 14 16 18 19 20 21 4 8 7 12 8 10 10 14 16 18 19 17 17 20 21 22 22 -1 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 437 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3000000000000000000000000000000000000000306080000000000000814000001E00000000000C0CC1980432C0830000008802A45240008200002522000888010864C808203AC09591842188608000C8C9C71888C08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-4-oxo-1-propyl-quinolin-2-olate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-oxo-3-(phenylmethyl)-1-propyl-2-quinolinolate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-4-oxo-1-propylquinolin-2-olate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-4-oxo-1-propylquinolin-2-olate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-oxidanylidene-3-(phenylmethyl)-1-propyl-quinolin-2-olate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-4-keto-1-propyl-quinolin-2-olate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H19NO2/c1-2-12-20-17-11-7-6-10-15(17)18(21)16(19(20)22)13-14-8-4-3-5-9-14/h3-11,22H,2,12-13H2,1H3/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UDZXWDFUYIBMLK-UHFFFAOYSA-M Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.133753817 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H18NO2- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCN1C2=CC=CC=C2C(=O)C(=C1[O-])CC3=CC=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCN1C2=CC=CC=C2C(=O)C(=C1[O-])CC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 43.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.133753817 22 0 0 0 0 0 0 0 1 -1