7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one

C21H19FN2O3 — CID 110614922

IUPAC7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc2ccc(F)cc2[nH]c1=O)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C21H19FN2O3/c22-15-9-8-14-11-18(20(25)23-19(14)12-15)21(26)24-10-4-7-17(13-24)27-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,17H,4,7,10,13H2,(H,23,25)
InChIKeyDYFXTKUFUBDEMM-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.35
Rot. Bonds3

About 7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one

7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one (PubChem CID 110614922) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one
PubChem CID110614922
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc2ccc(F)cc2[nH]c1=O)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C21H19FN2O3/c22-15-9-8-14-11-18(20(25)23-19(14)12-15)21(26)24-10-4-7-17(13-24)27-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,17H,4,7,10,13H2,(H,23,25)
InChIKeyDYFXTKUFUBDEMM-UHFFFAOYSA-N
XLogP3.35
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 110610273
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
7-fluoro-3-(2-methylmorpholine-4-carbonyl)-1H-quinolin-2-one
CID 110631278
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
CID 167892131
3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid
CID 122512313
7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 110608313
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
CID 119100757
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one
CID 166251134

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one (CID 110614922) is 7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one is O=C(c1cc2ccc(F)cc2[nH]c1=O)N1CCCC(Oc2ccccc2)C1.
What is the InChIKey of 7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one?
The InChIKey is DYFXTKUFUBDEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-15-9-8-14-11-18(20(25)23-19(14)12-15)21(26)24-10-4-7-17(13-24)27-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,17H,4,7,10,13H2,(H,23,25).
What are the key properties of 7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one?
7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one has a molecular weight of 366.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 110614922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).