4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one

C17H17N5O2 — CID 155699444

IUPAC4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one
SMILES[2H]C([2H])([2H])n1cc(-c2ccc3nc(OC)c4c([nH]c(=O)n4C)c3c2)c(C)n1
InChIInChI=1S/C17H17N5O2/c1-9-12(8-21(2)20-9)10-5-6-13-11(7-10)14-15(16(18-13)24-4)22(3)17(23)19-14/h5-8H,1-4H3,(H,19,23)/i2D3
InChIKeyJKLXEQVXZBIPKA-BMSJAHLVSA-N
MW326.37 g/mol
LogP2.13
Rot. Bonds3

About 4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one

4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one (PubChem CID 155699444) has the molecular formula C17H17N5O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one
PubChem CID155699444
Molecular FormulaC17H17N5O2
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Name4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one
SMILES[2H]C([2H])([2H])n1cc(-c2ccc3nc(OC)c4c([nH]c(=O)n4C)c3c2)c(C)n1
InChIInChI=1S/C17H17N5O2/c1-9-12(8-21(2)20-9)10-5-6-13-11(7-10)14-15(16(18-13)24-4)22(3)17(23)19-14/h5-8H,1-4H3,(H,19,23)/i2D3
InChIKeyJKLXEQVXZBIPKA-BMSJAHLVSA-N
XLogP2.13
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one (CID 155699444) is 4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one is [2H]C([2H])([2H])n1cc(-c2ccc3nc(OC)c4c([nH]c(=O)n4C)c3c2)c(C)n1.
What is the InChIKey of 4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is JKLXEQVXZBIPKA-BMSJAHLVSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-9-12(8-21(2)20-9)10-5-6-13-11(7-10)14-15(16(18-13)24-4)22(3)17(23)19-14/h5-8H,1-4H3,(H,19,23)/i2D3.
What are the key properties of 4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one?
4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 326.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-8-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]-1H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 155699444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).