Chemical ID: 5872320

CCCCNC(CC)c1nc2cc(ccc2c(=O)n1CC)Cl
Chemical ID:
5872320
Name [?]:
2-(1-butylaminopropyl)-7-chloro-3-ethyl-quinazolin-4-one
SMILES [?]:
CCCCNC(CC)c1nc2cc(ccc2c(=O)n1CC)Cl
InChi [?]:
InChI=1/C17H24ClN3O/c1-4-7-10-19-14(5-2)16-20-15-11-12(18)8-9-13(15)17(22)21(16)6-3/h8-9,11,14,19H,4-7,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,21,2,7,20,3,14,15,4,12,13,16,6,11,9,17,22,5,10,19,18/rA:22cCCCCNCCCCNCCCCCCCONCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s6;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s9s17;s19;s20;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24ClN3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:11.8247
Area:542.322
Solvation:-1.73333
Coulombic:-33.3359
Bond Count [?]
All:23
Single:18
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:321.845
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.64
LogP (Chemaxon):3.75

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