Chemical ID: 5901409

CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)CCc3ccccc3
Chemical ID:
5901409
Name [?]:
N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-3-phenyl-propanamide
SMILES [?]:
CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)CCc3ccccc3
InChi [?]:
InChI=1/C20H20ClN3O2/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/h3-7,9-10,12-13H,8,11H2,1-2H3,(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;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.1564
Area:597.474
Solvation:-2.7805
Coulombic:-44.903
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.845
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.09
LogP (Chemaxon):3.39

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