5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one

C15H21N3O — CID 10083918

IUPAC5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one
SMILESCCCCn1c2c(c3c(ncn3C)c1=O)CCCC2
InChIInChI=1S/C15H21N3O/c1-3-4-9-18-12-8-6-5-7-11(12)14-13(15(18)19)16-10-17(14)2/h10H,3-9H2,1-2H3
InChIKeyAEXDLVOGDVPSNT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.41
Rot. Bonds3

About 5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one

5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one (PubChem CID 10083918) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one
PubChem CID10083918
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one
SMILESCCCCn1c2c(c3c(ncn3C)c1=O)CCCC2
InChIInChI=1S/C15H21N3O/c1-3-4-9-18-12-8-6-5-7-11(12)14-13(15(18)19)16-10-17(14)2/h10H,3-9H2,1-2H3
InChIKeyAEXDLVOGDVPSNT-UHFFFAOYSA-N
XLogP2.41
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one (CID 10083918) is 5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one is CCCCn1c2c(c3c(ncn3C)c1=O)CCCC2.
What is the InChIKey of 5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one?
The InChIKey is AEXDLVOGDVPSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-4-9-18-12-8-6-5-7-11(12)14-13(15(18)19)16-10-17(14)2/h10H,3-9H2,1-2H3.
What are the key properties of 5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one?
5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 10083918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).