Chemical ID: 6621653

Cc1ccc(c(c1)NC(=O)c2c(c3ccccc3[nH]c2=O)O)C
Chemical ID:
6621653
Name [?]:
N-(2,5-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2c(c3ccccc3[nH]c2=O)O)C
InChi [?]:
InChI=1/C18H16N2O3/c1-10-7-8-11(2)14(9-10)20-18(23)15-16(21)12-5-3-4-6-13(12)19-17(15)22/h3-9H,1-2H3,(H,20,23)(H2,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,15,16,14,17,3,4,7,2,5,13,18,6,11,12,20,9,19,8,22,21,10/rA:23nCCCCCCCNCOCCCCCCCCNCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s12;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.2485
Area:494.048
Solvation:-3.10269
Coulombic:-58.4406
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:308.331
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.14
LogP (Chemaxon):2.99

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue