2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide

C19H17N3O2 — CID 59857970

IUPAC2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide
SMILESCC(=O)c1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1
InChIInChI=1S/C19H17N3O2/c1-13(23)14-3-2-4-17(9-14)21-12-19(24)22-18-6-5-16-11-20-8-7-15(16)10-18/h2-11,21H,12H2,1H3,(H,22,24)
InChIKeyVQVLDHHLIIFGMJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.49
Rot. Bonds5

About 2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide

2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide (PubChem CID 59857970) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide
PubChem CID59857970
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide
SMILESCC(=O)c1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1
InChIInChI=1S/C19H17N3O2/c1-13(23)14-3-2-4-17(9-14)21-12-19(24)22-18-6-5-16-11-20-8-7-15(16)10-18/h2-11,21H,12H2,1H3,(H,22,24)
InChIKeyVQVLDHHLIIFGMJ-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-isoquinolin-6-yl-2-(3-methylanilino)acetamide
CID 59857964
N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide
CID 59857971
N-(3-acetylphenyl)-2-(4-phenoxyanilino)acetamide
CID 109009860
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfanylanilino]-N-isoquinolin-6-ylacetamide
CID 143394314
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide?
The IUPAC name of 2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide (CID 59857970) is 2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide?
The canonical SMILES for 2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide is CC(=O)c1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide?
The InChIKey is VQVLDHHLIIFGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13(23)14-3-2-4-17(9-14)21-12-19(24)22-18-6-5-16-11-20-8-7-15(16)10-18/h2-11,21H,12H2,1H3,(H,22,24).
What are the key properties of 2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide?
2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide has a molecular weight of 319.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide is sourced from PubChem (CID 59857970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).