Chemical ID: 6495403

Cc1nc2ccccc2c(=O)n1CCCn3c(nc4ccccc4c3=O)C
Chemical ID:
6495403
Name [?]:
2-methyl-3-[3-(2-methyl-4-oxo-quinazolin-3-yl)propyl]quinazolin-4-one
SMILES [?]:
Cc1nc2ccccc2c(=O)n1CCCn3c(nc4ccccc4c3=O)C
InChi [?]:
InChI=1/C21H20N4O2/c1-14-22-18-10-5-3-8-16(18)20(26)24(14)12-7-13-25-15(2)23-19-11-6-4-9-17(19)21(25)27/h3-6,8-11H,7,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,7,22,6,21,14,8,23,5,20,13,15,2,17,9,24,4,19,10,25,3,18,12,16,11,26/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/rA:27nCCNCCCCCCCONCCCNCNCCCCCCCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;d10;s2s10;s12;s13;s14;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;s16s24;d25;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N4O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8298
Area:559.142
Solvation:-3.14874
Coulombic:-44.4133
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:360.409
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.3
LogP (Chemaxon):2.22

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