3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride

C17H22ClN3O2 — CID 119396572

IUPAC3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cc3ccccc3[nH]c2=O)C1.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-18-10-12-5-4-8-20(11-12)17(22)14-9-13-6-2-3-7-15(13)19-16(14)21;/h2-3,6-7,9,12,18H,4-5,8,10-11H2,1H3,(H,19,21);1H
InChIKeyXJMHMAKMILWMIS-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.02
Rot. Bonds3

About 3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride

3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride (PubChem CID 119396572) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
PubChem CID119396572
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cc3ccccc3[nH]c2=O)C1.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-18-10-12-5-4-8-20(11-12)17(22)14-9-13-6-2-3-7-15(13)19-16(14)21;/h2-3,6-7,9,12,18H,4-5,8,10-11H2,1H3,(H,19,21);1H
InChIKeyXJMHMAKMILWMIS-UHFFFAOYSA-N
XLogP2.02
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119650109
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
CID 119395633
3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119623243
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 95554707
4-[[1-(2-oxo-1H-quinoline-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70737695
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119539340
3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 57329601

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride (CID 119396572) is 3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride is CNCC1CCCN(C(=O)c2cc3ccccc3[nH]c2=O)C1.Cl.
What is the InChIKey of 3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The InChIKey is XJMHMAKMILWMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c1-18-10-12-5-4-8-20(11-12)17(22)14-9-13-6-2-3-7-15(13)19-16(14)21;/h2-3,6-7,9,12,18H,4-5,8,10-11H2,1H3,(H,19,21);1H.
What are the key properties of 3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 119396572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).