5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one

C16H19N3O — CID 3077034

IUPAC5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one
SMILESCCCCn1c(=O)c2ncn(C)c2c2cc(C)ccc21
InChIInChI=1S/C16H19N3O/c1-4-5-8-19-13-7-6-11(2)9-12(13)15-14(16(19)20)17-10-18(15)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyJAELTPJMENJSEX-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.00
Rot. Bonds3

About 5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one

5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one (PubChem CID 3077034) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one
PubChem CID3077034
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one
SMILESCCCCn1c(=O)c2ncn(C)c2c2cc(C)ccc21
InChIInChI=1S/C16H19N3O/c1-4-5-8-19-13-7-6-11(2)9-12(13)15-14(16(19)20)17-10-18(15)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyJAELTPJMENJSEX-UHFFFAOYSA-N
XLogP3.00
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one (CID 3077034) is 5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one is CCCCn1c(=O)c2ncn(C)c2c2cc(C)ccc21.
What is the InChIKey of 5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one?
The InChIKey is JAELTPJMENJSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-5-8-19-13-7-6-11(2)9-12(13)15-14(16(19)20)17-10-18(15)3/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one?
5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one has a molecular weight of 269.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 3077034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).