Chemical ID: 3930812

CC(=O)N1CCN(CC1)c2c(cc3cc(ccc3n2)OC)C#N
Chemical ID:
3930812
Name [?]:
2-(4-acetylpiperazin-1-yl)-6-methoxy-quinoline-3-carbonitrile
SMILES [?]:
CC(=O)N1CCN(CC1)c2c(cc3cc(ccc3n2)OC)C#N
InChi [?]:
InChI=1/C17H18N4O2/c1-12(22)20-5-7-21(8-6-20)17-14(11-18)9-13-10-15(23-2)3-4-16(13)19-17/h3-4,9-10H,5-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,16,17,5,9,6,8,12,14,22,2,13,11,15,18,10,23,19,4,7,3,20/E:(5,6)(7,8)/rA:23nCCONCCNCCCCCCCCCCCNOCCN/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s15;s20;s11;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N4O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.18522
Area:505.169
Solvation:-4.44401
Coulombic:-37.1434
Bond Count [?]
All:25
Single:18
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.351
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.13
LogP (Chemaxon):1.77

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