4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C17H22FN3O2 — CID 119435412

IUPAC4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(N)C1CCCCN1C(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C17H22FN3O2/c1-10(19)15-4-2-3-7-21(15)17(23)13-9-16(22)20-14-8-11(18)5-6-12(13)14/h5-6,8,10,13,15H,2-4,7,9,19H2,1H3,(H,20,22)
InChIKeyILXROUIYWICVNJ-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.98
Rot. Bonds2

About 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 119435412) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID119435412
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(N)C1CCCCN1C(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C17H22FN3O2/c1-10(19)15-4-2-3-7-21(15)17(23)13-9-16(22)20-14-8-11(18)5-6-12(13)14/h5-6,8,10,13,15H,2-4,7,9,19H2,1H3,(H,20,22)
InChIKeyILXROUIYWICVNJ-UHFFFAOYSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(4S)-4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 51647202
7-fluoro-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 119649615
7-fluoro-4-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111434115
(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 32910381
(4S)-7-fluoro-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94158194
7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride
CID 119435914
(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 41310381
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-propan-2-ylamino]acetate
CID 78884778
7-fluoro-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 78870079
[2-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 119435592

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 119435412) is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is CC(N)C1CCCCN1C(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ILXROUIYWICVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-10(19)15-4-2-3-7-21(15)17(23)13-9-16(22)20-14-8-11(18)5-6-12(13)14/h5-6,8,10,13,15H,2-4,7,9,19H2,1H3,(H,20,22).
What are the key properties of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 319.38 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 119435412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).