Chemical ID: 5097729

CCc1ccccc1n2c(nc3ccccc3c2=O)C
Chemical ID:
5097729
Name [?]:
3-(2-ethylphenyl)-2-methyl-quinazolin-4-one
SMILES [?]:
CCc1ccccc1n2c(nc3ccccc3c2=O)C
InChi [?]:
InChI=1/C17H16N2O/c1-3-13-8-4-7-11-16(13)19-12(2)18-15-10-6-5-9-14(15)17(19)20/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,5,15,14,6,4,16,13,7,10,3,17,12,8,18,11,9,19/rA:20nCCCCCCCCNCNCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s10;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.14353
Area:431.729
Solvation:-1.64969
Coulombic:-23.8869
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.322
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.33
LogP (Chemaxon):3.44

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Descriptor Annotations

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