1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

C21H17FN6O — CID 59620032

IUPAC1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cccnc5F)cc4c32)n(C)n1
InChIInChI=1S/C21H17FN6O/c1-12-9-18(27(3)25-12)28-19-15-10-13(14-5-4-8-23-20(14)22)6-7-16(15)24-11-17(19)26(2)21(28)29/h4-11H,1-3H3
InChIKeyGUAQFVOAGOUQJD-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.12
Rot. Bonds2

About 1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59620032) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59620032
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cccnc5F)cc4c32)n(C)n1
InChIInChI=1S/C21H17FN6O/c1-12-9-18(27(3)25-12)28-19-15-10-13(14-5-4-8-23-20(14)22)6-7-16(15)24-11-17(19)26(2)21(28)29/h4-11H,1-3H3
InChIKeyGUAQFVOAGOUQJD-UHFFFAOYSA-N
XLogP3.12
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11978091
N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide
CID 11978436
8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619976
1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619918
1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59613089
1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11979036
1-(1,3-dimethylpyrazol-4-yl)-8-[3-hydroxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619818
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-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one;4-methylbenzenesulfonic acid
CID 87185357
2-[3-[4-[8-(2-fluoro-6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetic acid
CID 86267358
5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile
CID 57344183
1-(3-chloro-1-methylpyrazol-4-yl)-8-[6-(hydroxymethyl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619928

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59620032) is 1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is Cc1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cccnc5F)cc4c32)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is GUAQFVOAGOUQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c1-12-9-18(27(3)25-12)28-19-15-10-13(14-5-4-8-23-20(14)22)6-7-16(15)24-11-17(19)26(2)21(28)29/h4-11H,1-3H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 388.41 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-8-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59620032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).