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

C23H22ClN7O2 — CID 59619861

IUPAC8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCOCc1cc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2Cl)c(=O)n4C)cnc1N
InChIInChI=1S/C23H22ClN7O2/c1-4-33-12-15-7-14(9-27-22(15)25)13-5-6-17-16(8-13)20-18(10-26-17)30(3)23(32)31(20)19-11-29(2)28-21(19)24/h5-11H,4,12H2,1-3H3,(H2,25,27)
InChIKeyOQTJUMAVIXCFNC-UHFFFAOYSA-N
MW463.93 g/mol
LogP3.44
Rot. Bonds5

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

8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619861) has the molecular formula C23H22ClN7O2 and a molecular weight of 463.93 g/mol. Its IUPAC name is 8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619861
Molecular FormulaC23H22ClN7O2
Molecular Weight463.93 g/mol
Exact Mass463.15
IUPAC Name8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCOCc1cc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2Cl)c(=O)n4C)cnc1N
InChIInChI=1S/C23H22ClN7O2/c1-4-33-12-15-7-14(9-27-22(15)25)13-5-6-17-16(8-13)20-18(10-26-17)30(3)23(32)31(20)19-11-29(2)28-21(19)24/h5-11H,4,12H2,1-3H3,(H2,25,27)
InChIKeyOQTJUMAVIXCFNC-UHFFFAOYSA-N
XLogP3.44
TPSA105.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 53.44
H-Bond Donors ≤ 51
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
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)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619881
8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619725
8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 91232152
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)-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
8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 67266442
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619625
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)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619932

Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619861) is 8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is CCOCc1cc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2Cl)c(=O)n4C)cnc1N.
What is the InChIKey of 8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is OQTJUMAVIXCFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O2/c1-4-33-12-15-7-14(9-27-22(15)25)13-5-6-17-16(8-13)20-18(10-26-17)30(3)23(32)31(20)19-11-29(2)28-21(19)24/h5-11H,4,12H2,1-3H3,(H2,25,27).
What are the key properties of 8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 463.93 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-amino-5-(ethoxymethyl)-3-pyridinyl]-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).