3-bromo-6-butyl-1H-quinolin-4-one

C13H14BrNO — CID 114759349

IUPAC3-bromo-6-butyl-1H-quinolin-4-one
SMILESCCCCc1ccc2[nH]cc(Br)c(=O)c2c1
InChIInChI=1S/C13H14BrNO/c1-2-3-4-9-5-6-12-10(7-9)13(16)11(14)8-15-12/h5-8H,2-4H2,1H3,(H,15,16)
InChIKeySIGSMCZDCKCULQ-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.63
Rot. Bonds3

About 3-bromo-6-butyl-1H-quinolin-4-one

3-bromo-6-butyl-1H-quinolin-4-one (PubChem CID 114759349) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 3-bromo-6-butyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-6-butyl-1H-quinolin-4-one
PubChem CID114759349
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name3-bromo-6-butyl-1H-quinolin-4-one
SMILESCCCCc1ccc2[nH]cc(Br)c(=O)c2c1
InChIInChI=1S/C13H14BrNO/c1-2-3-4-9-5-6-12-10(7-9)13(16)11(14)8-15-12/h5-8H,2-4H2,1H3,(H,15,16)
InChIKeySIGSMCZDCKCULQ-UHFFFAOYSA-N
XLogP3.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 118577946
6-ethyl-3-heptanoyl-1H-quinolin-4-one
CID 44561074
4-(3-bromo-1H-indol-6-yl)butanoic acid
CID 115006422
9,10-dibromo-2,6-didecylanthracene
CID 141357715
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325
1,2-dibromo-4-hexylbenzene
CID 54422362
3-bromo-6,7-diethoxy-1H-quinolin-4-one
CID 114759296
6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 25235263
6-butyl-2-(methoxymethyl)-1H-quinolin-4-one
CID 55062157
2-bromo-5-butylaniline
CID 130156190
2-bromo-4-butyl-1-chlorobenzene
CID 50997862
4-(3-methyl-1H-indol-5-yl)butan-1-amine
CID 117291124

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-butyl-1H-quinolin-4-one?
The IUPAC name of 3-bromo-6-butyl-1H-quinolin-4-one (CID 114759349) is 3-bromo-6-butyl-1H-quinolin-4-one.
What is the SMILES notation for 3-bromo-6-butyl-1H-quinolin-4-one?
The canonical SMILES for 3-bromo-6-butyl-1H-quinolin-4-one is CCCCc1ccc2[nH]cc(Br)c(=O)c2c1.
What is the InChIKey of 3-bromo-6-butyl-1H-quinolin-4-one?
The InChIKey is SIGSMCZDCKCULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-2-3-4-9-5-6-12-10(7-9)13(16)11(14)8-15-12/h5-8H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-bromo-6-butyl-1H-quinolin-4-one?
3-bromo-6-butyl-1H-quinolin-4-one has a molecular weight of 280.16 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-butyl-1H-quinolin-4-one is sourced from PubChem (CID 114759349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).