54683840 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 8 8 8 7 7 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 2 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 12 12 13 13 15 15 15 16 16 17 18 18 18 19 19 19 11 32 10 14 6 8 10 14 18 29 7 12 11 13 15 20 21 10 11 14 16 22 17 23 24 25 26 17 27 28 19 30 31 33 34 35 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 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 28 29 30 31 32 33 34 35 4.666 6.3981 6.3981 4.666 7.2641 3.8 3.8 4.666 5.5321 5.5321 4.666 2.9061 2.9061 6.3981 5.5321 2 2 8.1301 8.9962 4.0555 4.454 2.9132 2.9132 5.2221 6.069 5.8421 1.4643 1.4643 7.2641 8.5287 7.7316 4.1291 8.6862 9.5331 9.3062 2.095 -0.905 2.095 -0.905 0.595 -0.405 0.595 -1.905 0.595 -0.405 1.095 -0.9397 1.1297 1.095 -2.405 -0.4258 0.6158 1.095 0.595 -1.7973 -2.4876 -1.5596 1.7496 -2.9419 -2.715 -1.8681 -0.7379 0.9279 -0.025 1.57 1.57 2.405 0.0581 0.285 1.1319 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 9 9 12 13 16 6 10 7 12 11 13 10 11 16 17 17 0 Compound Canonicalized 5 2015.09.10 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 417 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0CC1980432C083C00200880225525000820000212200088881086CC808262AC8D19184700866D601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N,1-diethyl-4-hydroxy-2-oxo-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N,1-diethyl-4-hydroxy-2-oxo-3-quinolinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>,1-diethyl-4-hydroxy-2-oxoquinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N,1-diethyl-4-hydroxy-2-oxoquinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N,1-diethyl-4-oxidanyl-2-oxidanylidene-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N,1-diethyl-4-hydroxy-2-keto-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H16N2O3/c1-3-15-13(18)11-12(17)9-7-5-6-8-10(9)16(4-2)14(11)19/h5-8,17H,3-4H2,1-2H3,(H,15,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NOCDQRFVYXBIFU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.11609238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H16N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 69.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.11609238 19 0 0 0 0 0 0 0 1 -1