Chemical ID: 5875562

Cc1ccc(cc1C)n2c(=O)c3ccccc3nc2C(C)N(CC(C)C)C(=O)c4ccccc4Cl
Chemical ID:
5875562
Name [?]:
2-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-isobutyl-benzamide
SMILES [?]:
Cc1ccc(cc1C)n2c(=O)c3ccccc3nc2C(C)N(CC(C)C)C(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C29H30ClN3O2/c1-18(2)17-32(28(34)23-10-6-8-12-25(23)30)21(5)27-31-26-13-9-7-11-24(26)29(35)33(27)22-15-14-19(3)20(4)16-22/h6-16,18,21H,17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:25,26,1,8,21,31,14,32,15,30,13,33,16,3,4,6,23,24,2,7,20,5,29,12,34,17,19,27,10,35,18,22,9,28,11/E:(1,2)/rA:35cCCCCCCCCNCOCCCCCCNCCCNCCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s9d18;s19;s20;s20;s22;s23;s24;s24;s22;d27;s27;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H30ClN3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.844
Area:670.336
Solvation:-2.91436
Coulombic:-43.7397
Bond Count [?]
All:38
Single:26
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:488.02
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.77
LogP (Chemaxon):6.68

Name Annotations

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Descriptor Annotations

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