Chemical ID: 5567106

CC(=NCCO)c1c(c2ccccc2n(c1=O)c3ccccc3)O
Chemical ID:
5567106
Name [?]:
4-hydroxy-3-[1-(2-hydroxyethylimino)ethyl]-1-phenyl-quinolin-2-one
SMILES [?]:
CC(=NCCO)c1c(c2ccccc2n(c1=O)c3ccccc3)O
InChi [?]:
InChI=1/C19H18N2O3/c1-13(20-11-12-22)17-18(23)15-9-5-6-10-16(15)21(19(17)24)14-7-3-2-4-8-14/h2-10,22-23H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,11,12,19,23,10,13,4,5,2,18,9,14,7,8,16,3,15,6,24,17/E:(3,4)(7,8)/rA:24nCCNCCOCCCCCCCCNCOCCCCCCO/rB:s1;w2;s3;s4;s5;s2;d7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;d16;s15;s18;d19;s20;d21;d18s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.45597
Area:521.633
Solvation:-4.58485
Coulombic:-55.2548
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:322.358
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.13
LogP (Chemaxon):2.59

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