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

C16H14BrN5O — CID 59619705

IUPAC8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1nccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C16H14BrN5O/c1-3-21-14(6-7-19-21)22-15-11-8-10(17)4-5-12(11)18-9-13(15)20(2)16(22)23/h4-9H,3H2,1-2H3
InChIKeyUFRCMZBTYRNMPG-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.86
Rot. Bonds2

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

8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619705) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619705
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCn1nccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C16H14BrN5O/c1-3-21-14(6-7-19-21)22-15-11-8-10(17)4-5-12(11)18-9-13(15)20(2)16(22)23/h4-9H,3H2,1-2H3
InChIKeyUFRCMZBTYRNMPG-UHFFFAOYSA-N
XLogP2.86
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619705) is 8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one is CCn1nccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21.
What is the InChIKey of 8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is UFRCMZBTYRNMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-3-21-14(6-7-19-21)22-15-11-8-10(17)4-5-12(11)18-9-13(15)20(2)16(22)23/h4-9H,3H2,1-2H3.
What are the key properties of 8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 372.23 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(2-ethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).