Chemical ID: 5901422

CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)C=Cc3ccccc3
Chemical ID:
5901422
Name [?]:
N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-3-phenyl-prop-2-enamide
SMILES [?]:
CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C20H18ClN3O2/c1-13(22-18(25)11-8-14-6-4-3-5-7-14)19-23-17-12-15(21)9-10-16(17)20(26)24(19)2/h3-13H,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,14,24,23,25,22,26,20,8,9,19,6,2,21,7,10,5,17,3,11,15,16,4,13,18,12/E:(4,5)(6,7)/rA:26cCCCNCCCCCCCONCClNCOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s13;s7;s2;s16;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.3224
Area:572.481
Solvation:-2.98958
Coulombic:-45.7594
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:367.829
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):3.47

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