Chemical ID: 4847757

COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NC3CC3
Chemical ID:
4847757
Name [?]:
N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
SMILES [?]:
COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NC3CC3
InChi [?]:
InChI=1/C15H16N2O5/c1-21-10-5-8-9(6-11(10)22-2)17-15(20)12(13(8)18)14(19)16-7-3-4-7/h5-7H,3-4H2,1-2H3,(H,16,19)(H2,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,4,7,20,5,6,3,8,14,15,17,12,19,11,16,18,13,2,9/E:(3,4)/rA:22nCOCCCCCCOCNCOCCOCONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s5d14;s15;s14;d17;s17;s19;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.02444
Area:495.203
Solvation:-6.35563
Coulombic:-69.8688
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.298
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.02
LogP (Chemaxon):1.09

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