8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

C17H16BrN5O — CID 59619675

IUPAC8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(C)n1
InChIInChI=1S/C17H16BrN5O/c1-4-22-9-15(10(2)20-22)23-16-12-7-11(18)5-6-13(12)19-8-14(16)21(3)17(23)24/h5-9H,4H2,1-3H3
InChIKeyUSWVGTFOGWKNLS-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.16
Rot. Bonds2

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

8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619675) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619675
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1cc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(C)n1
InChIInChI=1S/C17H16BrN5O/c1-4-22-9-15(10(2)20-22)23-16-12-7-11(18)5-6-13(12)19-8-14(16)21(3)17(23)24/h5-9H,4H2,1-3H3
InChIKeyUSWVGTFOGWKNLS-UHFFFAOYSA-N
XLogP3.16
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619675) is 8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is CCn1cc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(C)n1.
What is the InChIKey of 8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is USWVGTFOGWKNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c1-4-22-9-15(10(2)20-22)23-16-12-7-11(18)5-6-13(12)19-8-14(16)21(3)17(23)24/h5-9H,4H2,1-3H3.
What are the key properties of 8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 386.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(1-ethyl-3-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).