Chemical ID: 5872413

CCCCCCNC(CC)c1nc2cc(ccc2c(=O)n1CC)Cl
Chemical ID:
5872413
Name [?]:
7-chloro-3-ethyl-2-(1-hexylaminopropyl)quinazolin-4-one
SMILES [?]:
CCCCCCNC(CC)c1nc2cc(ccc2c(=O)n1CC)Cl
InChi [?]:
InChI=1/C19H28ClN3O/c1-4-7-8-9-12-21-16(5-2)18-22-17-13-14(20)10-11-15(17)19(24)23(18)6-3/h10-11,13,16,21H,4-9,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,23,2,9,22,3,4,5,16,17,6,14,15,18,8,13,11,19,24,7,12,21,20/rA:24cCCCCCCNCCCCNCCCCCCCONCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s8;d11;s12;s13;d14;s15;d16;d13s17;s18;d19;s11s19;s21;s22;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H28ClN3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:13.1426
Area:594.831
Solvation:-1.72822
Coulombic:-33.945
Bond Count [?]
All:25
Single:20
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:349.898
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.78
LogP (Chemaxon):4.54

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Descriptor Annotations

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