Chemical ID: 6110250

Cc1ccc2c(c1)n(c(=O)nc2c3ccccc3)C(C)C
Chemical ID:
6110250
Name [?]:
1-isopropyl-7-methyl-4-phenyl-quinazolin-2-one
SMILES [?]:
Cc1ccc2c(c1)n(c(=O)nc2c3ccccc3)C(C)C
InChi [?]:
InChI=1/C18H18N2O/c1-12(2)20-16-11-13(3)9-10-15(16)17(19-18(20)21)14-7-5-4-6-8-14/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:20,21,1,16,15,17,14,18,3,4,7,19,2,13,5,6,12,9,11,8,10/E:(1,2)(5,6)(7,8)/rA:21nCCCCCCCNCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5d11;s12;s13;d14;s15;d16;d13s17;s8;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0933
Area:464.699
Solvation:-1.52424
Coulombic:-27.9978
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:278.348
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.86
LogP (Chemaxon):5.15

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