Chemical ID: 5901414

CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)c3cccc4c3cccc4
Chemical ID:
5901414
Name [?]:
N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]naphthalene-1-carboxamide
SMILES [?]:
CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)c3cccc4c3cccc4
InChi [?]:
InChI=1/C22H18ClN3O2/c1-13(20-25-19-12-15(23)10-11-18(19)22(28)26(20)2)24-21(27)17-9-5-7-14-6-3-4-8-16(14)17/h3-13H,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,14,27,26,21,28,22,25,20,8,9,6,2,23,7,24,19,10,5,3,17,11,15,16,4,13,18,12/rA:28cCCCNCCCCCCCONCClNCOCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s13;s7;s2;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18ClN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.3454
Area:594.754
Solvation:-2.5235
Coulombic:-47.3386
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:391.85
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):3.88

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