8-bromo-3-methyl-1H-quinolin-4-one;ethane

C12H14BrNO — CID 144929790

IUPAC8-bromo-3-methyl-1H-quinolin-4-one;ethane
SMILESCC.Cc1c[nH]c2c(Br)cccc2c1=O
InChIInChI=1S/C10H8BrNO.C2H6/c1-6-5-12-9-7(10(6)13)3-2-4-8(9)11;1-2/h2-5H,1H3,(H,12,13);1-2H3
InChIKeyAQHRSJMSPUPOCL-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.63
Rot. Bonds

About 8-bromo-3-methyl-1H-quinolin-4-one;ethane

8-bromo-3-methyl-1H-quinolin-4-one;ethane (PubChem CID 144929790) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 8-bromo-3-methyl-1H-quinolin-4-one;ethane.

Molecular Properties

Compound Name8-bromo-3-methyl-1H-quinolin-4-one;ethane
PubChem CID144929790
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name8-bromo-3-methyl-1H-quinolin-4-one;ethane
SMILESCC.Cc1c[nH]c2c(Br)cccc2c1=O
InChIInChI=1S/C10H8BrNO.C2H6/c1-6-5-12-9-7(10(6)13)3-2-4-8(9)11;1-2/h2-5H,1H3,(H,12,13);1-2H3
InChIKeyAQHRSJMSPUPOCL-UHFFFAOYSA-N
XLogP3.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-4-oxo-1H-quinoline-3-carboxamide
CID 151043662
8-bromo-2,3-dimethyl-1H-quinolin-4-one
CID 60995686
fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate
CID 142605157
7-bromo-3-tert-butyl-1H-indole
CID 106985255
7-bromo-3-propan-2-yl-1H-indole
CID 106985591
1-(7-bromo-1H-indol-3-yl)butan-1-one
CID 175665969
8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 56792763
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
2-(7-bromo-1H-indol-3-yl)-2-methylpropanoic acid
CID 82502243
8-chloro-3-methyl-1H-1,7-naphthyridin-4-one
CID 129293771
methyl 3-bromo-4-oxo-1H-quinoline-8-carboxylate
CID 71711059
1-(7-bromo-1H-indol-3-yl)-2-chloroethanone
CID 28806672

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methyl-1H-quinolin-4-one;ethane?
The IUPAC name of 8-bromo-3-methyl-1H-quinolin-4-one;ethane (CID 144929790) is 8-bromo-3-methyl-1H-quinolin-4-one;ethane.
What is the SMILES notation for 8-bromo-3-methyl-1H-quinolin-4-one;ethane?
The canonical SMILES for 8-bromo-3-methyl-1H-quinolin-4-one;ethane is CC.Cc1c[nH]c2c(Br)cccc2c1=O.
What is the InChIKey of 8-bromo-3-methyl-1H-quinolin-4-one;ethane?
The InChIKey is AQHRSJMSPUPOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO.C2H6/c1-6-5-12-9-7(10(6)13)3-2-4-8(9)11;1-2/h2-5H,1H3,(H,12,13);1-2H3.
What are the key properties of 8-bromo-3-methyl-1H-quinolin-4-one;ethane?
8-bromo-3-methyl-1H-quinolin-4-one;ethane has a molecular weight of 268.15 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methyl-1H-quinolin-4-one;ethane is sourced from PubChem (CID 144929790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).