Chemical ID: 6503234

CC1=CC(=Nc2ccccc2N1)c3c(c4ccccc4n(c3=O)C)O
Chemical ID:
6503234
Name [?]:
4-hydroxy-1-methyl-3-(5-methyl-2,6-diazabicyclo[5.4.0]undeca-2,4,8,10,12-pentaen-3-yl)-quinolin-2-one
SMILES [?]:
CC1=CC(=Nc2ccccc2N1)c3c(c4ccccc4n(c3=O)C)O
InChi [?]:
InChI=1/C20H17N3O2/c1-12-11-16(22-15-9-5-4-8-14(15)21-12)18-19(24)13-7-3-6-10-17(13)23(2)20(18)25/h3-11,21,24H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,17,9,8,18,16,10,7,19,3,2,15,11,6,4,20,13,14,22,12,5,21,25,23/rA:25nCCCCNCCCCCCNCCCCCCCCNCOCO/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;d6s10;s2s11;s4;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;s21;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.70937
Area:512.731
Solvation:-3.10891
Coulombic:-49.7896
Bond Count [?]
All:28
Single:18
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:331.368
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.88
LogP (Chemaxon):3.42

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