2-(isoquinolin-6-ylmethylamino)-N-methylacetamide

C13H15N3O — CID 107037794

IUPAC2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
SMILESCNC(=O)CNCc1ccc2cnccc2c1
InChIInChI=1S/C13H15N3O/c1-14-13(17)9-16-7-10-2-3-12-8-15-5-4-11(12)6-10/h2-6,8,16H,7,9H2,1H3,(H,14,17)
InChIKeyKOZNEPISNKGXEB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.07
Rot. Bonds4

About 2-(isoquinolin-6-ylmethylamino)-N-methylacetamide

2-(isoquinolin-6-ylmethylamino)-N-methylacetamide (PubChem CID 107037794) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(isoquinolin-6-ylmethylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
PubChem CID107037794
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
SMILESCNC(=O)CNCc1ccc2cnccc2c1
InChIInChI=1S/C13H15N3O/c1-14-13(17)9-16-7-10-2-3-12-8-15-5-4-11(12)6-10/h2-6,8,16H,7,9H2,1H3,(H,14,17)
InChIKeyKOZNEPISNKGXEB-UHFFFAOYSA-N
XLogP1.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(isoquinolin-6-ylmethylamino)acetate
CID 107038009
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
3-(isoquinolin-6-ylmethylamino)-N-(2-methylpropyl)propanamide
CID 107038893
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943
2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide
CID 24998256
1-[(3-chlorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one
CID 58367625
4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol
CID 107038561
1-isoquinolin-6-ylpentane-2,4-dione
CID 159448998
(2S)-3-isoquinolin-6-yl-2-(methylamino)propanoic acid
CID 172529864
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
2-isoquinolin-6-ylacetic acid
CID 19098542
1-isoquinolin-6-yl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 107038081

Frequently Asked Questions

What is the IUPAC name of 2-(isoquinolin-6-ylmethylamino)-N-methylacetamide?
The IUPAC name of 2-(isoquinolin-6-ylmethylamino)-N-methylacetamide (CID 107037794) is 2-(isoquinolin-6-ylmethylamino)-N-methylacetamide.
What is the SMILES notation for 2-(isoquinolin-6-ylmethylamino)-N-methylacetamide?
The canonical SMILES for 2-(isoquinolin-6-ylmethylamino)-N-methylacetamide is CNC(=O)CNCc1ccc2cnccc2c1.
What is the InChIKey of 2-(isoquinolin-6-ylmethylamino)-N-methylacetamide?
The InChIKey is KOZNEPISNKGXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-13(17)9-16-7-10-2-3-12-8-15-5-4-11(12)6-10/h2-6,8,16H,7,9H2,1H3,(H,14,17).
What are the key properties of 2-(isoquinolin-6-ylmethylamino)-N-methylacetamide?
2-(isoquinolin-6-ylmethylamino)-N-methylacetamide has a molecular weight of 229.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(isoquinolin-6-ylmethylamino)-N-methylacetamide is sourced from PubChem (CID 107037794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).