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

C17H22ClN3O2 — CID 120814628

IUPAC4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
SMILESCC1(C)CN(C(=O)c2cc(=O)[nH]c3ccccc23)CCC1N.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-17(2)10-20(8-7-14(17)18)16(22)12-9-15(21)19-13-6-4-3-5-11(12)13;/h3-6,9,14H,7-8,10,18H2,1-2H3,(H,19,21);1H
InChIKeyGRGUMSUPMIPYCE-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.15
Rot. Bonds1

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

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride (PubChem CID 120814628) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
PubChem CID120814628
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
SMILESCC1(C)CN(C(=O)c2cc(=O)[nH]c3ccccc23)CCC1N.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-17(2)10-20(8-7-14(17)18)16(22)12-9-15(21)19-13-6-4-3-5-11(12)13;/h3-6,9,14H,7-8,10,18H2,1-2H3,(H,19,21);1H
InChIKeyGRGUMSUPMIPYCE-UHFFFAOYSA-N
XLogP2.15
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 120814282
1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile
CID 47086841
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 120814465
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
CID 72892217
4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95759127
4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one
CID 2394404
4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1H-quinolin-2-one
CID 155963104
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride (CID 120814628) is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride is CC1(C)CN(C(=O)c2cc(=O)[nH]c3ccccc23)CCC1N.Cl.
What is the InChIKey of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride?
The InChIKey is GRGUMSUPMIPYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c1-17(2)10-20(8-7-14(17)18)16(22)12-9-15(21)19-13-6-4-3-5-11(12)13;/h3-6,9,14H,7-8,10,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride?
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 2.15, 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)-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 120814628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).