2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide

C14H18N4O — CID 43451019

IUPAC2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccc2cc(N)ccc2n1
InChIInChI=1S/C14H18N4O/c1-17(2)14(19)9-18(3)13-7-4-10-8-11(15)5-6-12(10)16-13/h4-8H,9,15H2,1-3H3
InChIKeyIVAHVCKHBSGLMQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds3

About 2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide

2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide (PubChem CID 43451019) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide
PubChem CID43451019
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccc2cc(N)ccc2n1
InChIInChI=1S/C14H18N4O/c1-17(2)14(19)9-18(3)13-7-4-10-8-11(15)5-6-12(10)16-13/h4-8H,9,15H2,1-3H3
InChIKeyIVAHVCKHBSGLMQ-UHFFFAOYSA-N
XLogP1.34
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 43577856
2-N-methyl-2-N-(2-pyridin-2-ylethyl)quinoline-2,6-diamine
CID 43450816
2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 43374936
2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 104918783
4-[(6-aminoquinolin-2-yl)-methylamino]benzonitrile
CID 62981426
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid
CID 43375386
2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine
CID 62003185
2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile
CID 43383019
2-N-butyl-2-N-ethylquinoline-2,6-diamine
CID 43383017
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80778671
2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
CID 43613779
2-[4-amino-2-(difluoromethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 63734078

Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide (CID 43451019) is 2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is IVAHVCKHBSGLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)14(19)9-18(3)13-7-4-10-8-11(15)5-6-12(10)16-13/h4-8H,9,15H2,1-3H3.
What are the key properties of 2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide?
2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43451019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).