Chemical ID: 4891535

CCCCc1nc2ccccc2c(=O)n1c3ccc(cc3C)C
Chemical ID:
4891535
Name [?]:
2-butyl-3-(2,4-dimethylphenyl)-quinazolin-4-one
SMILES [?]:
CCCCc1nc2ccccc2c(=O)n1c3ccc(cc3C)C
InChi [?]:
InChI=1/C20H22N2O/c1-4-5-10-19-21-17-9-7-6-8-16(17)20(23)22(19)18-12-11-14(2)13-15(18)3/h6-9,11-13H,4-5,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,22,2,3,10,9,11,8,4,18,17,20,19,21,12,7,16,5,13,6,15,14/rA:23nCCCCCNCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s12;d13;s5s13;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.31
Area:518.428
Solvation:-1.65067
Coulombic:-24.446
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.402
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.7
LogP (Chemaxon):4.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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