Chemical ID: 5876122

Cc1ccc(cc1)C(=O)N(C)C(C)c2nc3cc(ccc3c(=O)n2c4ccc(cc4)C)Cl
Chemical ID:
5876122
Name [?]:
N-[1-[7-chloro-4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]-N,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(C)C(C)c2nc3cc(ccc3c(=O)n2c4ccc(cc4)C)Cl
InChi [?]:
InChI=1/C26H24ClN3O2/c1-16-5-9-19(10-6-16)25(31)29(4)18(3)24-28-23-15-20(27)11-14-22(23)26(32)30(24)21-12-7-17(2)8-13-21/h5-15,18H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,13,11,3,7,27,29,4,6,19,26,30,20,17,2,28,12,5,18,25,21,16,14,8,22,32,15,10,24,9,23/E:(5,6)(7,8)(9,10)(12,13)/rA:32cCCCCCCCCONCCCCNCCCCCCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s10;s12;s12;d14;s15;s16;d17;s18;d19;d16s20;s21;d22;s14s22;s24;s25;d26;s27;d28;d25s29;s28;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24ClN3O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.3799
Area:648.958
Solvation:-2.84406
Coulombic:-42.6514
Bond Count [?]
All:35
Single:23
Double:12
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:445.94
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.69
LogP (Chemaxon):5.47

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Descriptor Annotations

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