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

C17H20FN3O2 — CID 119435559

IUPAC4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
SMILESCC(N)C1CCCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C17H20FN3O2/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/h5-6,8-10,15H,2-4,7,19H2,1H3,(H,20,22)
InChIKeyDJPNTWFQCHTPKA-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.01
Rot. Bonds2

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

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one (PubChem CID 119435559) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
PubChem CID119435559
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
SMILESCC(N)C1CCCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C17H20FN3O2/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/h5-6,8-10,15H,2-4,7,19H2,1H3,(H,20,22)
InChIKeyDJPNTWFQCHTPKA-UHFFFAOYSA-N
XLogP2.01
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 119435592
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578766
(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71930254
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 70756728
7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one
CID 95716840
(4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 97215376
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 120814282
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 119436569
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119435814

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one (CID 119435559) is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one is CC(N)C1CCCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
The InChIKey is DJPNTWFQCHTPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/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/h5-6,8-10,15H,2-4,7,19H2,1H3,(H,20,22).
What are the key properties of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one has a molecular weight of 317.36 g/mol, XLogP of 2.01, 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-1H-quinolin-2-one is sourced from PubChem (CID 119435559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).