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Chemical ID: 6503234
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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