2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide

C13H15BrN4O — CID 43621315

IUPAC2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C13H15BrN4O/c1-16-12(19)7-18(2)13-9-5-8(14)3-4-11(9)17-6-10(13)15/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyCAROCFGKZSRRAV-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.76
Rot. Bonds3

About 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide

2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide (PubChem CID 43621315) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide
PubChem CID43621315
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C13H15BrN4O/c1-16-12(19)7-18(2)13-9-5-8(14)3-4-11(9)17-6-10(13)15/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyCAROCFGKZSRRAV-UHFFFAOYSA-N
XLogP1.76
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide
CID 43621357
2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 103962855
6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
CID 55125947
6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine
CID 61431679
6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine
CID 43621365
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088
6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine
CID 43621145
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631408
2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide
CID 63873061
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
4-bromo-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 43375083

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide (CID 43621315) is 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide?
The InChIKey is CAROCFGKZSRRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-16-12(19)7-18(2)13-9-5-8(14)3-4-11(9)17-6-10(13)15/h3-6H,7,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide?
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide has a molecular weight of 323.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 43621315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).