Chemical ID: 5872435

CCCCNC(C)c1nc2ccccc2c(=O)n1CCC
Chemical ID:
5872435
Name [?]:
2-(1-butylaminoethyl)-3-propyl-quinazolin-4-one
SMILES [?]:
CCCCNC(C)c1nc2ccccc2c(=O)n1CCC
InChi [?]:
InChI=1/C17H25N3O/c1-4-6-11-18-13(3)16-19-15-10-8-7-9-14(15)17(21)20(16)12-5-2/h7-10,13,18H,4-6,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,7,2,20,3,13,12,14,11,4,19,6,15,10,8,16,5,9,18,17/rA:21cCCCCNCCCNCCCCCCCONCCC/rB:s1;s2;s3;s4;s5;s6;s6;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s8s16;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.8502
Area:509.09
Solvation:-1.87703
Coulombic:-33.4682
Bond Count [?]
All:22
Single:17
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.4
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.02
LogP (Chemaxon):3.23

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Descriptor Annotations

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