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

C14H16FNO2 — CID 43457528

IUPAC6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C14H16FNO2/c1-14(2,3)13(18)9-6-8-4-5-12(17)16-11(8)7-10(9)15/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKeyHFIJTFSNHCFXQS-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.94
Rot. Bonds1

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

6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43457528) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID43457528
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C14H16FNO2/c1-14(2,3)13(18)9-6-8-4-5-12(17)16-11(8)7-10(9)15/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKeyHFIJTFSNHCFXQS-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

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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
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500030
6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid
CID 119358178
7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457547
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
CID 61327398
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532220
7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 117312766
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

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 43457528) is 6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is CC(C)(C)C(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HFIJTFSNHCFXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-14(2,3)13(18)9-6-8-4-5-12(17)16-11(8)7-10(9)15/h6-7H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 249.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43457528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).