8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one

C24H24N6O3 — CID 59620070

IUPAC8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cn(CCO)nc2C)c(=O)n4C)cn1
InChIInChI=1S/C24H24N6O3/c1-4-33-22-8-6-17(12-26-22)16-5-7-19-18(11-16)23-20(13-25-19)28(3)24(32)30(23)21-14-29(9-10-31)27-15(21)2/h5-8,11-14,31H,4,9-10H2,1-3H3
InChIKeyPKOUDGGGKKCLDO-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.84
Rot. Bonds6

About 8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one

8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59620070) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59620070
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cn(CCO)nc2C)c(=O)n4C)cn1
InChIInChI=1S/C24H24N6O3/c1-4-33-22-8-6-17(12-26-22)16-5-7-19-18(11-16)23-20(13-25-19)28(3)24(32)30(23)21-14-29(9-10-31)27-15(21)2/h5-8,11-14,31H,4,9-10H2,1-3H3
InChIKeyPKOUDGGGKKCLDO-UHFFFAOYSA-N
XLogP2.84
TPSA99.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619745
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
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 59619638
8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59613060
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619881
1-(3-chloro-1-methylpyrazol-4-yl)-8-[6-(hydroxymethyl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619928
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
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
8-[5-(aminomethyl)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620031
1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59612983
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 8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 59620070) is 8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one is CCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cn(CCO)nc2C)c(=O)n4C)cn1.
What is the InChIKey of 8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is PKOUDGGGKKCLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-4-33-22-8-6-17(12-26-22)16-5-7-19-18(11-16)23-20(13-25-19)28(3)24(32)30(23)21-14-29(9-10-31)27-15(21)2/h5-8,11-14,31H,4,9-10H2,1-3H3.
What are the key properties of 8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 444.50 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59620070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).