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

C14H17BrN4O — CID 43621357

IUPAC2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C14H17BrN4O/c1-3-19(8-13(20)17-2)14-10-6-9(15)4-5-12(10)18-7-11(14)16/h4-7H,3,8,16H2,1-2H3,(H,17,20)
InChIKeyLETHEAABUGMEFV-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.15
Rot. Bonds4

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

2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide (PubChem CID 43621357) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide
PubChem CID43621357
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C14H17BrN4O/c1-3-19(8-13(20)17-2)14-10-6-9(15)4-5-12(10)18-7-11(14)16/h4-7H,3,8,16H2,1-2H3,(H,17,20)
InChIKeyLETHEAABUGMEFV-UHFFFAOYSA-N
XLogP2.15
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 43621315
6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine
CID 43621365
ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate
CID 46397800
6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine
CID 43621145
2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 103962855
2-[(5-amino-3-bromo-2-pyridinyl)-ethylamino]-N-methylacetamide
CID 79531786
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 114090177
6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
CID 55125947
2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80652125
6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide
CID 102713092
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631408

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide (CID 43621357) is 2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)c1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide?
The InChIKey is LETHEAABUGMEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-3-19(8-13(20)17-2)14-10-6-9(15)4-5-12(10)18-7-11(14)16/h4-7H,3,8,16H2,1-2H3,(H,17,20).
What are the key properties of 2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide?
2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide has a molecular weight of 337.22 g/mol, XLogP of 2.15, 4 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)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 43621357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).