1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C21H16ClFN6O2 — CID 122589374

IUPAC1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(Cl)cc1F)c(=O)n3C
InChIInChI=1S/C21H16ClFN6O2/c1-27-10-11(7-26-27)13-5-14-16(6-18(13)31-3)24-9-17-19(14)29(21(30)28(17)2)20-15(23)4-12(22)8-25-20/h4-10H,1-3H3
InChIKeyMPNQFPTYAVDOAM-UHFFFAOYSA-N
MW438.85 g/mol
LogP3.47
Rot. Bonds3

About 1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589374) has the molecular formula C21H16ClFN6O2 and a molecular weight of 438.85 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589374
Molecular FormulaC21H16ClFN6O2
Molecular Weight438.85 g/mol
Exact Mass438.10
IUPAC Name1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(Cl)cc1F)c(=O)n3C
InChIInChI=1S/C21H16ClFN6O2/c1-27-10-11(7-26-27)13-5-14-16(6-18(13)31-3)24-9-17-19(14)29(21(30)28(17)2)20-15(23)4-12(22)8-25-20/h4-10H,1-3H3
InChIKeyMPNQFPTYAVDOAM-UHFFFAOYSA-N
XLogP3.47
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.85
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)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 1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122589374) is 1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(Cl)cc1F)c(=O)n3C.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is MPNQFPTYAVDOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN6O2/c1-27-10-11(7-26-27)13-5-14-16(6-18(13)31-3)24-9-17-19(14)29(21(30)28(17)2)20-15(23)4-12(22)8-25-20/h4-10H,1-3H3.
What are the key properties of 1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 438.85 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).