3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one

C13H13N3O — CID 151683371

IUPAC3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one
SMILESCC(C)n1c(=O)[nH]c2c3ccccc3ncc21
InChIInChI=1S/C13H13N3O/c1-8(2)16-11-7-14-10-6-4-3-5-9(10)12(11)15-13(16)17/h3-8H,1-2H3,(H,15,17)
InChIKeyRAZYZOMUGRKPHF-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.46
Rot. Bonds1

About 3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one

3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one (PubChem CID 151683371) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one
PubChem CID151683371
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one
SMILESCC(C)n1c(=O)[nH]c2c3ccccc3ncc21
InChIInChI=1S/C13H13N3O/c1-8(2)16-11-7-14-10-6-4-3-5-9(10)12(11)15-13(16)17/h3-8H,1-2H3,(H,15,17)
InChIKeyRAZYZOMUGRKPHF-UHFFFAOYSA-N
XLogP2.46
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one (CID 151683371) is 3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one is CC(C)n1c(=O)[nH]c2c3ccccc3ncc21.
What is the InChIKey of 3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is RAZYZOMUGRKPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8(2)16-11-7-14-10-6-4-3-5-9(10)12(11)15-13(16)17/h3-8H,1-2H3,(H,15,17).
What are the key properties of 3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one?
3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 227.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 151683371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).