Chemical ID: 4880261

CCCc1nc2ccccc2c(=O)n1c3ccc(cc3C)C
Chemical ID:
4880261
Name [?]:
3-(2,4-dimethylphenyl)-2-propyl-quinazolin-4-one
SMILES [?]:
CCCc1nc2ccccc2c(=O)n1c3ccc(cc3C)C
InChi [?]:
InChI=1/C19H20N2O/c1-4-7-18-20-16-9-6-5-8-15(16)19(22)21(18)17-11-10-13(2)12-14(17)3/h5-6,8-12H,4,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,2,9,8,3,10,7,17,16,19,18,20,11,6,15,4,12,5,14,13/rA:22nCCCCNCCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.6229
Area:491.087
Solvation:-1.65424
Coulombic:-24.142
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.375
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.13
LogP (Chemaxon):4.54

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Descriptor Annotations

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