8-bromo-2-methyl-1H-quinolin-4-one

C10H8BrNO — CID 843748

IUPAC8-bromo-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(Br)c2[nH]1
InChIInChI=1S/C10H8BrNO/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,1H3,(H,12,13)
InChIKeyVZEQVJZHDYRCBZ-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.60
Rot. Bonds

About 8-bromo-2-methyl-1H-quinolin-4-one

8-bromo-2-methyl-1H-quinolin-4-one (PubChem CID 843748) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 8-bromo-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-bromo-2-methyl-1H-quinolin-4-one
PubChem CID843748
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name8-bromo-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(Br)c2[nH]1
InChIInChI=1S/C10H8BrNO/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,1H3,(H,12,13)
InChIKeyVZEQVJZHDYRCBZ-UHFFFAOYSA-N
XLogP2.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Heptyl-4-hydroxyquinoline
CID 164974
2-Methylquinolin-4-ol
CID 69089
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590
2,3-Dimethylquinolin-4-OL
CID 237396
2-N-Nonyl-4-Quinolone
CID 9856730
2-Heptyl-3-methyl-1H-quinolin-4-one
CID 599666
11H-Cyclohepta(b)quinolin-11-one, 5,6,7,8,9,10-hexahydro-
CID 21282
6-Fluoro-2-methylquinolin-4-ol
CID 85184
8-Fluoro-2-methylquinolin-4-ol
CID 15395998

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methyl-1H-quinolin-4-one?
The IUPAC name of 8-bromo-2-methyl-1H-quinolin-4-one (CID 843748) is 8-bromo-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 8-bromo-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 8-bromo-2-methyl-1H-quinolin-4-one is Cc1cc(=O)c2cccc(Br)c2[nH]1.
What is the InChIKey of 8-bromo-2-methyl-1H-quinolin-4-one?
The InChIKey is VZEQVJZHDYRCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,1H3,(H,12,13).
What are the key properties of 8-bromo-2-methyl-1H-quinolin-4-one?
8-bromo-2-methyl-1H-quinolin-4-one has a molecular weight of 238.08 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 843748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).