Chemical ID: 5901401

CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)c3ccc(cc3)F
Chemical ID:
5901401
Name [?]:
N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-4-fluoro-benzamide
SMILES [?]:
CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H15ClFN3O2/c1-10(21-17(24)11-3-6-13(20)7-4-11)16-22-15-9-12(19)5-8-14(15)18(25)23(16)2/h3-10H,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,14,20,24,8,21,23,9,6,2,19,7,22,10,5,3,17,11,15,25,16,4,13,18,12/E:(3,4)(6,7)/rA:25cCCCNCCCCCCCONCClNCOCCCCCCF/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s13;s7;s2;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClFN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.3312
Area:549.136
Solvation:-3.39725
Coulombic:-49.0163
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:359.782
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.27
LogP (Chemaxon):3.02

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