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

C16H14BrN5O — CID 59619976

IUPAC8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1cnn(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C16H14BrN5O/c1-9-7-19-21(3)15(9)22-14-11-6-10(17)4-5-12(11)18-8-13(14)20(2)16(22)23/h4-8H,1-3H3
InChIKeyWCYYOVQDGYZFHA-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.68
Rot. Bonds1

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

8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619976) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619976
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1cnn(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C16H14BrN5O/c1-9-7-19-21(3)15(9)22-14-11-6-10(17)4-5-12(11)18-8-13(14)20(2)16(22)23/h4-8H,1-3H3
InChIKeyWCYYOVQDGYZFHA-UHFFFAOYSA-N
XLogP2.68
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619976) is 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one is Cc1cnn(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21.
What is the InChIKey of 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is WCYYOVQDGYZFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-9-7-19-21(3)15(9)22-14-11-6-10(17)4-5-12(11)18-8-13(14)20(2)16(22)23/h4-8H,1-3H3.
What are the key properties of 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 372.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).