8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C24H24FN7O — CID 59620051

IUPAC8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCCNc1cc(-c2ccc3ncc4c(c3c2)n(-c2c(C)nn(C)c2C)c(=O)n4C)cnc1F
InChIInChI=1S/C24H24FN7O/c1-6-26-19-10-16(11-28-23(19)25)15-7-8-18-17(9-15)22-20(12-27-18)30(4)24(33)32(22)21-13(2)29-31(5)14(21)3/h7-12,26H,6H2,1-5H3
InChIKeyQIQICPOYTXNSGR-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.86
Rot. Bonds4

About 8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 59620051) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID59620051
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCCNc1cc(-c2ccc3ncc4c(c3c2)n(-c2c(C)nn(C)c2C)c(=O)n4C)cnc1F
InChIInChI=1S/C24H24FN7O/c1-6-26-19-10-16(11-28-23(19)25)15-7-8-18-17(9-15)22-20(12-27-18)30(4)24(33)32(22)21-13(2)29-31(5)14(21)3/h7-12,26H,6H2,1-5H3
InChIKeyQIQICPOYTXNSGR-UHFFFAOYSA-N
XLogP3.86
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.86
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 8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 59620051) is 8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is CCNc1cc(-c2ccc3ncc4c(c3c2)n(-c2c(C)nn(C)c2C)c(=O)n4C)cnc1F.
What is the InChIKey of 8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is QIQICPOYTXNSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-6-26-19-10-16(11-28-23(19)25)15-7-8-18-17(9-15)22-20(12-27-18)30(4)24(33)32(22)21-13(2)29-31(5)14(21)3/h7-12,26H,6H2,1-5H3.
What are the key properties of 8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 445.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(ethylamino)-6-fluoro-3-pyridinyl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59620051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).