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Chemical ID: 5901381
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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