Chemical ID: 3952725

c1ccc(cc1)c2nc3ccccc3c(=O)n2NC(=O)C4CCC4
Chemical ID:
3952725
Name [?]:
N-(4-oxo-2-phenyl-quinazolin-3-yl)cyclobutanecarboxamide
SMILES [?]:
c1ccc(cc1)c2nc3ccccc3c(=O)n2NC(=O)C4CCC4
InChi [?]:
InChI=1/C19H17N3O2/c23-18(14-9-6-10-14)21-22-17(13-7-2-1-3-8-13)20-16-12-5-4-11-15(16)19(22)24/h1-5,7-8,11-12,14H,6,9-10H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,23,3,5,22,24,13,10,4,21,14,9,7,19,15,8,18,17,20,16/E:(2,3)(7,8)(9,10)/rA:24nCCCCCCCNCCCCCCCONNCOCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;d9s13;s14;d15;s7s15;s17;s18;d19;s19;s21;s22;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.47695
Area:501.609
Solvation:-3.06328
Coulombic:-39.6491
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.357
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.63
LogP (Chemaxon):3.11

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