Chemical ID: 5901381

Cc1ccccc1C(=O)NC(C)c2nc3cc(ccc3c(=O)n2C)Cl
Chemical ID:
5901381
Name [?]:
N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)NC(C)c2nc3cc(ccc3c(=O)n2C)Cl
InChi [?]:
InChI=1/C19H18ClN3O2/c1-11-6-4-5-7-14(11)18(24)21-12(2)17-22-16-10-13(20)8-9-15(16)19(25)23(17)3/h4-10,12H,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,12,24,4,5,3,6,18,19,16,2,11,17,7,20,15,13,8,21,25,10,14,23,9,22/rA:25cCCCCCCCCONCCCNCCCCCCCONCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s11;d13;s14;s15;d16;s17;d18;d15s19;s20;d21;s13s21;s23;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18ClN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.5765
Area:556.862
Solvation:-2.345
Coulombic:-46.3739
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:355.818
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.55
LogP (Chemaxon):3.35

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Descriptor Annotations

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