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Chemical ID: 5901405
Chemical ID:
5901405
Name [?]:
N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-3-cyclopentyl-propanamide
SMILES [?]:
CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)CCC3CCCC3
InChi [?]:
InChI=1/C19H24ClN3O2/c1-12(21-17(24)10-7-13-5-3-4-6-13)18-22-16-11-14(20)8-9-15(16)19(25)23(18)2/h8-9,11-13H,3-7,10H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,14,23,24,22,25,20,8,9,19,6,2,21,7,10,5,17,3,11,15,16,4,13,18,12/E:(3,4)(5,6)/rA:25cCCCNCCCCCCCONCClNCOCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s13;s7;s2;s16;d17;s17;s19;s20;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1608 |
Area: | 586.546 |
Solvation: | -2.5028 |
Coulombic: | -44.2647 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.866 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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