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

C15H11BrClN5O — CID 59619725

IUPAC8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCn1cc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(Cl)n1
InChIInChI=1S/C15H11BrClN5O/c1-20-7-12(14(17)19-20)22-13-9-5-8(16)3-4-10(9)18-6-11(13)21(2)15(22)23/h3-7H,1-2H3
InChIKeyAJNXEOROLSYFLB-UHFFFAOYSA-N
MW392.64 g/mol
LogP3.03
Rot. Bonds1

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

8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619725) has the molecular formula C15H11BrClN5O and a molecular weight of 392.64 g/mol. Its IUPAC name is 8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619725
Molecular FormulaC15H11BrClN5O
Molecular Weight392.64 g/mol
Exact Mass390.98
IUPAC Name8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCn1cc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(Cl)n1
InChIInChI=1S/C15H11BrClN5O/c1-20-7-12(14(17)19-20)22-13-9-5-8(16)3-4-10(9)18-6-11(13)21(2)15(22)23/h3-7H,1-2H3
InChIKeyAJNXEOROLSYFLB-UHFFFAOYSA-N
XLogP3.03
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619725) is 8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is Cn1cc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(Cl)n1.
What is the InChIKey of 8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is AJNXEOROLSYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN5O/c1-20-7-12(14(17)19-20)22-13-9-5-8(16)3-4-10(9)18-6-11(13)21(2)15(22)23/h3-7H,1-2H3.
What are the key properties of 8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 392.64 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).