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

C23H22FN7O — CID 59619621

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(F)c(NC)c5)cc4c32)c(C)n1
InChIInChI=1S/C23H22FN7O/c1-5-30-12-20(13(2)28-30)31-21-16-8-14(15-9-18(25-3)22(24)27-10-15)6-7-17(16)26-11-19(21)29(4)23(31)32/h6-12,25H,5H2,1-4H3
InChIKeyCLYHJXQYUJLUAR-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.65
Rot. Bonds4

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

1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619621) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619621
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(F)c(NC)c5)cc4c32)c(C)n1
InChIInChI=1S/C23H22FN7O/c1-5-30-12-20(13(2)28-30)31-21-16-8-14(15-9-18(25-3)22(24)27-10-15)6-7-17(16)26-11-19(21)29(4)23(31)32/h6-12,25H,5H2,1-4H3
InChIKeyCLYHJXQYUJLUAR-UHFFFAOYSA-N
XLogP3.65
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619621) is 1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is CCn1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(F)c(NC)c5)cc4c32)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is CLYHJXQYUJLUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-5-30-12-20(13(2)28-30)31-21-16-8-14(15-9-18(25-3)22(24)27-10-15)6-7-17(16)26-11-19(21)29(4)23(31)32/h6-12,25H,5H2,1-4H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 431.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-8-[6-fluoro-5-(methylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).