54688355 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 8 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 2 3 4 4 4 5 5 5 6 6 6 6 7 7 9 9 9 11 11 11 12 12 12 13 15 15 16 16 16 17 17 17 18 18 19 19 20 10 38 8 14 8 11 12 13 14 27 7 8 21 22 10 14 10 13 15 16 23 24 17 25 26 18 19 28 29 30 31 32 33 34 20 35 20 36 37 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 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 38 4.666 7.2641 6.3981 8.1301 4.666 6.3981 5.5321 7.2641 3.8 4.666 8.9962 8.1301 3.8 5.5321 2.9061 9.8622 8.9962 2.9061 2 2 6.7966 5.9996 8.5976 9.3947 7.9181 7.5196 4.666 2.9132 10.1722 10.3991 9.5522 9.3062 9.5331 8.6862 2.9132 1.4643 1.4643 4.1291 1.56 -0.94 -1.44 0.56 -1.44 0.56 0.06 0.06 0.06 0.56 0.06 1.56 -0.94 -0.94 0.5947 0.56 2.06 -1.4747 0.0808 -0.9608 1.035 1.035 -0.4149 -0.4149 2.1426 1.4523 -2.06 1.2146 0.0231 0.87 1.0969 1.5231 2.37 2.5969 -2.0946 0.3929 -1.2729 1.87 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 9 9 9 13 15 18 19 13 14 10 14 10 13 15 18 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 427 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0CC1980432C083C00200880225525000820000212200088801086CC8082632C0919184700866D601C8D90795C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-diethyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-diethyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>,<I>N</I>-diethyl-2-(4-hydroxy-2-oxo-1<I>H</I>-quinolin-3-yl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-diethyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-diethyl-2-(4-oxidanyl-2-oxidanylidene-1H-quinolin-3-yl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-diethyl-2-(4-hydroxy-2-keto-1H-quinolin-3-yl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H18N2O3/c1-3-17(4-2)13(18)9-11-14(19)10-7-5-6-8-12(10)16-15(11)20/h5-8H,3-4,9H2,1-2H3,(H2,16,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UDRLOIWJHGWHNP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.13174244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H18N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)C(=O)CC1=C(C2=CC=CC=C2NC1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)C(=O)CC1=C(C2=CC=CC=C2NC1=O)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 2021.05.07 274.13174244 20 0 0 0 0 0 0 0 1 -1