1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one

C20H16ClN7O2 — CID 59619918

IUPAC1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2Cl)c(=O)n4C)cn1
InChIInChI=1S/C20H16ClN7O2/c1-26-10-16(18(21)25-26)28-17-13-6-11(12-7-23-19(30-3)24-8-12)4-5-14(13)22-9-15(17)27(2)20(28)29/h4-10H,1-3H3
InChIKeyXCWWSQSYCWCFIO-UHFFFAOYSA-N
MW421.85 g/mol
LogP2.73
Rot. Bonds3

About 1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one

1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619918) has the molecular formula C20H16ClN7O2 and a molecular weight of 421.85 g/mol. Its IUPAC name is 1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619918
Molecular FormulaC20H16ClN7O2
Molecular Weight421.85 g/mol
Exact Mass421.11
IUPAC Name1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2Cl)c(=O)n4C)cn1
InChIInChI=1S/C20H16ClN7O2/c1-26-10-16(18(21)25-26)28-17-13-6-11(12-7-23-19(30-3)24-8-12)4-5-14(13)22-9-15(17)27(2)20(28)29/h4-10H,1-3H3
InChIKeyXCWWSQSYCWCFIO-UHFFFAOYSA-N
XLogP2.73
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.85
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(3-chloro-1-methylpyrazol-4-yl)-8-[6-(hydroxymethyl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619928
8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619725
1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619745
8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619861
5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile
CID 59619935
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 59619638
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-(6-methyl-5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
CID 59620037
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619881
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619625
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619932
8-[5-(aminomethyl)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620031
1-(1,3-dimethylpyrazol-4-yl)-8-[3-hydroxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619818

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619918) is 1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one is COc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2Cl)c(=O)n4C)cn1.
What is the InChIKey of 1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is XCWWSQSYCWCFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7O2/c1-26-10-16(18(21)25-26)28-17-13-6-11(12-7-23-19(30-3)24-8-12)4-5-14(13)22-9-15(17)27(2)20(28)29/h4-10H,1-3H3.
What are the key properties of 1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 421.85 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).