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

C22H19N5O2 — CID 149406912

IUPAC7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1C1=CCN=C1)n(-c1ccncc1C)c(=O)n3C
InChIInChI=1S/C22H19N5O2/c1-13-10-23-7-5-18(13)27-21-16-8-15(14-4-6-24-11-14)20(29-3)9-17(16)25-12-19(21)26(2)22(27)28/h4-5,7-12H,6H2,1-3H3
InChIKeyYQLWHLUJAITWII-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.06
Rot. Bonds3

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

7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 149406912) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID149406912
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1C1=CCN=C1)n(-c1ccncc1C)c(=O)n3C
InChIInChI=1S/C22H19N5O2/c1-13-10-23-7-5-18(13)27-21-16-8-15(14-4-6-24-11-14)20(29-3)9-17(16)25-12-19(21)26(2)22(27)28/h4-5,7-12H,6H2,1-3H3
InChIKeyYQLWHLUJAITWII-UHFFFAOYSA-N
XLogP3.06
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one;1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-1-(3-methoxy-4-pyridinyl)-3-methyl-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 160627704
8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 161317294
1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one
CID 146228336
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325522
8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 145161829
1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 146228359
1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589435
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 122589401
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 134325571
1-(5-ethenyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 145161742
1-[3-fluoro-5-(trideuteriomethoxy)-4-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589373
3-[8-(4-chloro-3-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile
CID 134438375

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 149406912) is 7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1C1=CCN=C1)n(-c1ccncc1C)c(=O)n3C.
What is the InChIKey of 7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is YQLWHLUJAITWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-13-10-23-7-5-18(13)27-21-16-8-15(14-4-6-24-11-14)20(29-3)9-17(16)25-12-19(21)26(2)22(27)28/h4-5,7-12H,6H2,1-3H3.
What are the key properties of 7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one?
7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 385.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 149406912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).