6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride

C14H17BrClN3O2 — CID 120828627

IUPAC6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc12.Cl
InChIInChI=1S/C14H16BrN3O2.ClH/c1-8(16-2)7-17-14(20)11-6-13(19)18-12-4-3-9(15)5-10(11)12;/h3-6,8,16H,7H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyIIDIHJXUQKYOHM-UHFFFAOYSA-N
MW374.67 g/mol
LogP2.05
Rot. Bonds4

About 6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride

6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 120828627) has the molecular formula C14H17BrClN3O2 and a molecular weight of 374.67 g/mol. Its IUPAC name is 6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID120828627
Molecular FormulaC14H17BrClN3O2
Molecular Weight374.67 g/mol
Exact Mass373.02
IUPAC Name6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc12.Cl
InChIInChI=1S/C14H16BrN3O2.ClH/c1-8(16-2)7-17-14(20)11-6-13(19)18-12-4-3-9(15)5-10(11)12;/h3-6,8,16H,7H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyIIDIHJXUQKYOHM-UHFFFAOYSA-N
XLogP2.05
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide
CID 120831007
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060
N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 120651419
methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate
CID 166490177
N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119659480
6-bromo-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 95981052
4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 120831839
6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119388268
N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119654892
6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119544979

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of 6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (CID 120828627) is 6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc12.Cl.
What is the InChIKey of 6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is IIDIHJXUQKYOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2.ClH/c1-8(16-2)7-17-14(20)11-6-13(19)18-12-4-3-9(15)5-10(11)12;/h3-6,8,16H,7H2,1-2H3,(H,17,20)(H,18,19);1H.
What are the key properties of 6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 374.67 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 120828627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).