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

C14H14FNO3 — CID 43457544

IUPAC7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)C3CCCO3)c(F)cc2N1
InChIInChI=1S/C14H14FNO3/c15-10-7-11-8(3-4-13(17)16-11)6-9(10)14(18)12-2-1-5-19-12/h6-7,12H,1-5H2,(H,16,17)
InChIKeyVLYUJFGEKHFSBT-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.07
Rot. Bonds2

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

7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43457544) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43457544
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)C3CCCO3)c(F)cc2N1
InChIInChI=1S/C14H14FNO3/c15-10-7-11-8(3-4-13(17)16-11)6-9(10)14(18)12-2-1-5-19-12/h6-7,12H,1-5H2,(H,16,17)
InChIKeyVLYUJFGEKHFSBT-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549
6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43457466
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467651
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-[(3R)-oxan-3-yl]acetic acid
CID 129467652
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298263
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
5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43160614
(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 99718262

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 43457544) is 7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)C3CCCO3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VLYUJFGEKHFSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-10-7-11-8(3-4-13(17)16-11)6-9(10)14(18)12-2-1-5-19-12/h6-7,12H,1-5H2,(H,16,17).
What are the key properties of 7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 263.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43457544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).