7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one

C14H16FNO2 — CID 43457554

IUPAC7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CC(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C14H16FNO2/c1-8(2)5-13(17)10-6-9-3-4-14(18)16-12(9)7-11(10)15/h6-8H,3-5H2,1-2H3,(H,16,18)
InChIKeyCMWOFUYGQSNRMG-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.94
Rot. Bonds3

About 7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43457554) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43457554
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CC(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C14H16FNO2/c1-8(2)5-13(17)10-6-9-3-4-14(18)16-12(9)7-11(10)15/h6-8H,3-5H2,1-2H3,(H,16,18)
InChIKeyCMWOFUYGQSNRMG-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298263
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500030
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
CID 61327398
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid
CID 119358178
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120524210
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 120534807
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516375
6-[2-(3,4-dimethylphenyl)sulfanylacetyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 71894605
6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one (CID 43457554) is 7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one is CC(C)CC(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CMWOFUYGQSNRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-8(2)5-13(17)10-6-9-3-4-14(18)16-12(9)7-11(10)15/h6-8H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 249.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43457554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).