6-bromo-1-methylquinolin-4-one

C10H8BrNO — CID 1377385

IUPAC6-bromo-1-methylquinolin-4-one
SMILESCn1ccc(=O)c2cc(Br)ccc21
InChIInChI=1S/C10H8BrNO/c1-12-5-4-10(13)8-6-7(11)2-3-9(8)12/h2-6H,1H3
InChIKeyMJXZFEIAYVYJQT-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.30
Rot. Bonds

About 6-bromo-1-methylquinolin-4-one

6-bromo-1-methylquinolin-4-one (PubChem CID 1377385) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 6-bromo-1-methylquinolin-4-one.

Molecular Properties

Compound Name6-bromo-1-methylquinolin-4-one
PubChem CID1377385
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name6-bromo-1-methylquinolin-4-one
SMILESCn1ccc(=O)c2cc(Br)ccc21
InChIInChI=1S/C10H8BrNO/c1-12-5-4-10(13)8-6-7(11)2-3-9(8)12/h2-6H,1H3
InChIKeyMJXZFEIAYVYJQT-UHFFFAOYSA-N
XLogP2.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methylquinolin-4-one?
The IUPAC name of 6-bromo-1-methylquinolin-4-one (CID 1377385) is 6-bromo-1-methylquinolin-4-one.
What is the SMILES notation for 6-bromo-1-methylquinolin-4-one?
The canonical SMILES for 6-bromo-1-methylquinolin-4-one is Cn1ccc(=O)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-methylquinolin-4-one?
The InChIKey is MJXZFEIAYVYJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-12-5-4-10(13)8-6-7(11)2-3-9(8)12/h2-6H,1H3.
What are the key properties of 6-bromo-1-methylquinolin-4-one?
6-bromo-1-methylquinolin-4-one has a molecular weight of 238.08 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methylquinolin-4-one is sourced from PubChem (CID 1377385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).