Chemical ID: 5872309

CCCCNC(C)c1nc2cc(ccc2c(=O)n1CC)Cl
Chemical ID:
5872309
Name [?]:
2-(1-butylaminoethyl)-7-chloro-3-ethyl-quinazolin-4-one
SMILES [?]:
CCCCNC(C)c1nc2cc(ccc2c(=O)n1CC)Cl
InChi [?]:
InChI=1/C16H22ClN3O/c1-4-6-9-18-11(3)15-19-14-10-12(17)7-8-13(14)16(21)20(15)5-2/h7-8,10-11,18H,4-6,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,7,2,19,3,13,14,4,11,6,12,15,10,8,16,21,5,9,18,17/rA:21cCCCCNCCCNCCCCCCCONCCCl/rB:s1;s2;s3;s4;s5;s6;s6;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s8s16;s18;s19;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22ClN3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:11.1022
Area:520.212
Solvation:-1.90307
Coulombic:-32.7761
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:307.818
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.28
LogP (Chemaxon):3.28

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Descriptor Annotations

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