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

C14H14BrNO2 — CID 44560520

IUPAC6-bromo-3-pentanoyl-1H-quinolin-4-one
SMILESCCCCC(=O)c1c[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C14H14BrNO2/c1-2-3-4-13(17)11-8-16-12-6-5-9(15)7-10(12)14(11)18/h5-8H,2-4H2,1H3,(H,16,18)
InChIKeyPJAZYFXWDONHJY-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.66
Rot. Bonds4

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

6-bromo-3-pentanoyl-1H-quinolin-4-one (PubChem CID 44560520) has the molecular formula C14H14BrNO2 and a molecular weight of 308.17 g/mol. Its IUPAC name is 6-bromo-3-pentanoyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-3-pentanoyl-1H-quinolin-4-one
PubChem CID44560520
Molecular FormulaC14H14BrNO2
Molecular Weight308.17 g/mol
Exact Mass307.02
IUPAC Name6-bromo-3-pentanoyl-1H-quinolin-4-one
SMILESCCCCC(=O)c1c[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C14H14BrNO2/c1-2-3-4-13(17)11-8-16-12-6-5-9(15)7-10(12)14(11)18/h5-8H,2-4H2,1H3,(H,16,18)
InChIKeyPJAZYFXWDONHJY-UHFFFAOYSA-N
XLogP3.66
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 689824
8-Bromo-2-methyl-4-quinolinol
CID 843748
3-Bromo-2-methylquinolin-4-OL
CID 886844
6-Bromo-2-methylquinolin-4-ol
CID 2905902
9,10-Anthracenedione, 1-bromo-4-(methylamino)-
CID 31418
3-pentanoyl-1H-quinolin-4-one
CID 44560518
3-acetyl-6-methyl-1H-quinolin-4-one
CID 3243839
4-Oxo-1,4-dihydroquinoline-3-carboxamide
CID 824670
6-ethyl-3-pentanoyl-1H-quinolin-4-one
CID 44561043
6-ethyl-3-hexanoyl-1H-quinolin-4-one
CID 44561044
N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide
CID 1418363
3-[(4-Acetylphenyl)amino]-1-(4-bromophenyl)-2-propen-1-one
CID 2063725

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-pentanoyl-1H-quinolin-4-one?
The IUPAC name of 6-bromo-3-pentanoyl-1H-quinolin-4-one (CID 44560520) is 6-bromo-3-pentanoyl-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-3-pentanoyl-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-3-pentanoyl-1H-quinolin-4-one is CCCCC(=O)c1c[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-pentanoyl-1H-quinolin-4-one?
The InChIKey is PJAZYFXWDONHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-2-3-4-13(17)11-8-16-12-6-5-9(15)7-10(12)14(11)18/h5-8H,2-4H2,1H3,(H,16,18).
What are the key properties of 6-bromo-3-pentanoyl-1H-quinolin-4-one?
6-bromo-3-pentanoyl-1H-quinolin-4-one has a molecular weight of 308.17 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-pentanoyl-1H-quinolin-4-one is sourced from PubChem (CID 44560520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).