Chemical ID: 5901420

CCc1ccc(cc1)C(=O)NC(C)c2nc3cc(ccc3c(=O)n2C)Cl
Chemical ID:
5901420
Name [?]:
N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-4-ethyl-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)NC(C)c2nc3cc(ccc3c(=O)n2C)Cl
InChi [?]:
InChI=1/C20H20ClN3O2/c1-4-13-5-7-14(8-6-13)19(25)22-12(2)18-23-17-11-15(21)9-10-16(17)20(26)24(18)3/h5-12H,4H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,13,25,2,4,8,5,7,19,20,17,12,3,6,18,21,16,14,9,22,26,11,15,24,10,23/E:(5,6)(7,8)/rA:26cCCCCCCCCCONCCCNCCCCCCCONCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s12;d14;s15;s16;d17;s18;d19;d16s20;s21;d22;s14s22;s24;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.3332
Area:590.902
Solvation:-2.43934
Coulombic:-46.552
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.845
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.01
LogP (Chemaxon):3.74

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