N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride

C17H23BrClN3O2 — CID 119659480

IUPACN-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc12.Cl
InChIInChI=1S/C17H22BrN3O2.ClH/c1-10(2)14(19)6-7-21(3)17(23)13-9-16(22)20-15-5-4-11(18)8-12(13)15;/h4-5,8-10,14H,6-7,19H2,1-3H3,(H,20,22);1H
InChIKeyXFUUHBAWBFZVFJ-UHFFFAOYSA-N
MW416.75 g/mol
LogP3.16
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119659480) has the molecular formula C17H23BrClN3O2 and a molecular weight of 416.75 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119659480
Molecular FormulaC17H23BrClN3O2
Molecular Weight416.75 g/mol
Exact Mass415.07
IUPAC NameN-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc12.Cl
InChIInChI=1S/C17H22BrN3O2.ClH/c1-10(2)14(19)6-7-21(3)17(23)13-9-16(22)20-15-5-4-11(18)8-12(13)15;/h4-5,8-10,14H,6-7,19H2,1-3H3,(H,20,22);1H
InChIKeyXFUUHBAWBFZVFJ-UHFFFAOYSA-N
XLogP3.16
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 119660307
N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119654892
6-bromo-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 95981052
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 120828627
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454
1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317116
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119660821
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride
CID 119660116

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (CID 119659480) is N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc12.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is XFUUHBAWBFZVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2.ClH/c1-10(2)14(19)6-7-21(3)17(23)13-9-16(22)20-15-5-4-11(18)8-12(13)15;/h4-5,8-10,14H,6-7,19H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 416.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119659480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).