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

C22H21N7O2 — CID 59619745

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(OC)nc5)cc4c32)c(C)n1
InChIInChI=1S/C22H21N7O2/c1-5-28-12-19(13(2)26-28)29-20-16-8-14(15-9-24-21(31-4)25-10-15)6-7-17(16)23-11-18(20)27(3)22(29)30/h6-12H,5H2,1-4H3
InChIKeyXNFDHISXGYHXDW-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.87
Rot. Bonds4

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

1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619745) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619745
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(OC)nc5)cc4c32)c(C)n1
InChIInChI=1S/C22H21N7O2/c1-5-28-12-19(13(2)26-28)29-20-16-8-14(15-9-24-21(31-4)25-10-15)6-7-17(16)23-11-18(20)27(3)22(29)30/h6-12H,5H2,1-4H3
InChIKeyXNFDHISXGYHXDW-UHFFFAOYSA-N
XLogP2.87
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619918
8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620070
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619881
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)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619625
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-(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
2-methyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]butanamide
CID 90773321
N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide
CID 59619784
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-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619745) is 1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one is CCn1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(OC)nc5)cc4c32)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is XNFDHISXGYHXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-5-28-12-19(13(2)26-28)29-20-16-8-14(15-9-24-21(31-4)25-10-15)6-7-17(16)23-11-18(20)27(3)22(29)30/h6-12H,5H2,1-4H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 415.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).