Chemical ID: 5872396

CCC(c1nc2ccccc2c(=O)n1CC)NCC(C)C
Chemical ID:
5872396
Name [?]:
3-ethyl-2-(1-isobutylaminopropyl)quinazolin-4-one
SMILES [?]:
CCC(c1nc2ccccc2c(=O)n1CC)NCC(C)C
InChi [?]:
InChI=1/C17H25N3O/c1-5-14(18-11-12(3)4)16-19-15-10-8-7-9-13(15)17(21)20(16)6-2/h7-10,12,14,18H,5-6,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,20,21,2,15,9,8,10,7,18,19,11,3,6,4,12,17,5,14,13/E:(3,4)/rA:21cCCCCNCCCCCCCONCCNCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s15;s3;s17;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.4643
Area:499.591
Solvation:-2.02542
Coulombic:-33.2175
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.4
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.75
LogP (Chemaxon):3.24

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Descriptor Annotations

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