2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide

C19H20N4O — CID 70317093

IUPAC2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CNc1ccc2c(N)nccc2c1
InChIInChI=1S/C19H20N4O/c1-23(13-14-5-3-2-4-6-14)18(24)12-22-16-7-8-17-15(11-16)9-10-21-19(17)20/h2-11,22H,12-13H2,1H3,(H2,20,21)
InChIKeyVXFGUDMVSCUNTD-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.89
Rot. Bonds5

About 2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide

2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide (PubChem CID 70317093) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide
PubChem CID70317093
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CNc1ccc2c(N)nccc2c1
InChIInChI=1S/C19H20N4O/c1-23(13-14-5-3-2-4-6-14)18(24)12-22-16-7-8-17-15(11-16)9-10-21-19(17)20/h2-11,22H,12-13H2,1H3,(H2,20,21)
InChIKeyVXFGUDMVSCUNTD-UHFFFAOYSA-N
XLogP2.89
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[[2-[(1-aminoisoquinolin-6-yl)amino]acetyl]-methylamino]methyl]-4-(trifluoromethylsulfinyl)phenyl]-3-(2-methoxyphenyl)propanamide
CID 144758259
N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide
CID 54824566
N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821466
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832457
N-[3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839121
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835092
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide
CID 108997433
N-benzyl-N-methyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843335
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834776

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide (CID 70317093) is 2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide is CN(Cc1ccccc1)C(=O)CNc1ccc2c(N)nccc2c1.
What is the InChIKey of 2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide?
The InChIKey is VXFGUDMVSCUNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-23(13-14-5-3-2-4-6-14)18(24)12-22-16-7-8-17-15(11-16)9-10-21-19(17)20/h2-11,22H,12-13H2,1H3,(H2,20,21).
What are the key properties of 2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide?
2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide has a molecular weight of 320.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide is sourced from PubChem (CID 70317093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).