1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one

C17H19N3O — CID 15224432

IUPAC1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one
SMILESCC(=O)Cc1nc2cnc3ccccc3c2n1CC(C)C
InChIInChI=1S/C17H19N3O/c1-11(2)10-20-16(8-12(3)21)19-15-9-18-14-7-5-4-6-13(14)17(15)20/h4-7,9,11H,8,10H2,1-3H3
InChIKeyPXPXISCMGOOWKY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.37
Rot. Bonds4

About 1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one

1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one (PubChem CID 15224432) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one
PubChem CID15224432
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one
SMILESCC(=O)Cc1nc2cnc3ccccc3c2n1CC(C)C
InChIInChI=1S/C17H19N3O/c1-11(2)10-20-16(8-12(3)21)19-15-9-18-14-7-5-4-6-13(14)17(15)20/h4-7,9,11H,8,10H2,1-3H3
InChIKeyPXPXISCMGOOWKY-UHFFFAOYSA-N
XLogP3.37
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one (CID 15224432) is 1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one is CC(=O)Cc1nc2cnc3ccccc3c2n1CC(C)C.
What is the InChIKey of 1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one?
The InChIKey is PXPXISCMGOOWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11(2)10-20-16(8-12(3)21)19-15-9-18-14-7-5-4-6-13(14)17(15)20/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one?
1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one is sourced from PubChem (CID 15224432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).