8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride

C16H19BrClN3O2 — CID 119444645

IUPAC8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CCNCC1.Cl
InChIInChI=1S/C16H18BrN3O2.ClH/c1-20(10-5-7-18-8-6-10)16(22)12-9-14(21)19-15-11(12)3-2-4-13(15)17;/h2-4,9-10,18H,5-8H2,1H3,(H,19,21);1H
InChIKeyREPHZCHVSCOKES-UHFFFAOYSA-N
MW400.70 g/mol
LogP2.54
Rot. Bonds2

About 8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride

8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119444645) has the molecular formula C16H19BrClN3O2 and a molecular weight of 400.70 g/mol. Its IUPAC name is 8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119444645
Molecular FormulaC16H19BrClN3O2
Molecular Weight400.70 g/mol
Exact Mass399.03
IUPAC Name8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CCNCC1.Cl
InChIInChI=1S/C16H18BrN3O2.ClH/c1-20(10-5-7-18-8-6-10)16(22)12-9-14(21)19-15-11(12)3-2-4-13(15)17;/h2-4,9-10,18H,5-8H2,1H3,(H,19,21);1H
InChIKeyREPHZCHVSCOKES-UHFFFAOYSA-N
XLogP2.54
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.70
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide
CID 104974738
8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 56792763
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
2-bromo-N-methyl-4-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442882
N-methyl-7-oxo-N-piperidin-4-yl-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide
CID 121334702
8-bromo-4-[3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119493998
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2-bromo-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106855036
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370674
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of 8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride (CID 119444645) is 8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride is CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CCNCC1.Cl.
What is the InChIKey of 8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is REPHZCHVSCOKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2.ClH/c1-20(10-5-7-18-8-6-10)16(22)12-9-14(21)19-15-11(12)3-2-4-13(15)17;/h2-4,9-10,18H,5-8H2,1H3,(H,19,21);1H.
What are the key properties of 8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride?
8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 400.70 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119444645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).