4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride

C17H21ClFN3O2 — CID 120814282

IUPAC4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
SMILESCC1(C)CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CCC1N.Cl
InChIInChI=1S/C17H20FN3O2.ClH/c1-17(2)9-21(6-5-14(17)19)16(23)12-8-15(22)20-13-7-10(18)3-4-11(12)13;/h3-4,7-8,14H,5-6,9,19H2,1-2H3,(H,20,22);1H
InChIKeyJSFNPUBIPRNOJW-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.29
Rot. Bonds1

About 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride (PubChem CID 120814282) has the molecular formula C17H21ClFN3O2 and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
PubChem CID120814282
Molecular FormulaC17H21ClFN3O2
Molecular Weight353.83 g/mol
Exact Mass353.13
IUPAC Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
SMILESCC1(C)CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CCC1N.Cl
InChIInChI=1S/C17H20FN3O2.ClH/c1-17(2)9-21(6-5-14(17)19)16(23)12-8-15(22)20-13-7-10(18)3-4-11(12)13;/h3-4,7-8,14H,5-6,9,19H2,1-2H3,(H,20,22);1H
InChIKeyJSFNPUBIPRNOJW-UHFFFAOYSA-N
XLogP2.29
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 120814628
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154868364
4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 119415623
(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 120820413
7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one
CID 95716840
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 120815955

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride (CID 120814282) is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride is CC1(C)CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CCC1N.Cl.
What is the InChIKey of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride?
The InChIKey is JSFNPUBIPRNOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2.ClH/c1-17(2)9-21(6-5-14(17)19)16(23)12-8-15(22)20-13-7-10(18)3-4-11(12)13;/h3-4,7-8,14H,5-6,9,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride?
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride has a molecular weight of 353.83 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 120814282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).