6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride

C17H21BrClN3O2 — CID 119544979

IUPAC6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
SMILESCNCC1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc23)CC1.Cl
InChIInChI=1S/C17H20BrN3O2.ClH/c1-19-10-11-4-6-21(7-5-11)17(23)14-9-16(22)20-15-3-2-12(18)8-13(14)15;/h2-3,8-9,11,19H,4-7,10H2,1H3,(H,20,22);1H
InChIKeyWWHDPZWOMLUPNR-UHFFFAOYSA-N
MW414.73 g/mol
LogP2.78
Rot. Bonds3

About 6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride

6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride (PubChem CID 119544979) has the molecular formula C17H21BrClN3O2 and a molecular weight of 414.73 g/mol. Its IUPAC name is 6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
PubChem CID119544979
Molecular FormulaC17H21BrClN3O2
Molecular Weight414.73 g/mol
Exact Mass413.05
IUPAC Name6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
SMILESCNCC1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc23)CC1.Cl
InChIInChI=1S/C17H20BrN3O2.ClH/c1-19-10-11-4-6-21(7-5-11)17(23)14-9-16(22)20-15-3-2-12(18)8-13(14)15;/h2-3,8-9,11,19H,4-7,10H2,1H3,(H,20,22);1H
InChIKeyWWHDPZWOMLUPNR-UHFFFAOYSA-N
XLogP2.78
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.73
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
CID 119934390
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251111
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
(4-bromo-2-nitrophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543076
6-bromo-4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 53367318
4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
CID 124702415
(2-bromo-5-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546124
(4-bromo-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478388
(5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646742
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248375

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride (CID 119544979) is 6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride is CNCC1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc23)CC1.Cl.
What is the InChIKey of 6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The InChIKey is WWHDPZWOMLUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2.ClH/c1-19-10-11-4-6-21(7-5-11)17(23)14-9-16(22)20-15-3-2-12(18)8-13(14)15;/h2-3,8-9,11,19H,4-7,10H2,1H3,(H,20,22);1H.
What are the key properties of 6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride has a molecular weight of 414.73 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 119544979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).