2-anilino-N-isoquinolin-5-ylacetamide

C17H15N3O — CID 60860768

IUPAC2-anilino-N-isoquinolin-5-ylacetamide
SMILESO=C(CNc1ccccc1)Nc1cccc2cnccc12
InChIInChI=1S/C17H15N3O/c21-17(12-19-14-6-2-1-3-7-14)20-16-8-4-5-13-11-18-10-9-15(13)16/h1-11,19H,12H2,(H,20,21)
InChIKeyYFFQCGMRIFUWCY-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.29
Rot. Bonds4

About 2-anilino-N-isoquinolin-5-ylacetamide

2-anilino-N-isoquinolin-5-ylacetamide (PubChem CID 60860768) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-anilino-N-isoquinolin-5-ylacetamide.

Molecular Properties

Compound Name2-anilino-N-isoquinolin-5-ylacetamide
PubChem CID60860768
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-anilino-N-isoquinolin-5-ylacetamide
SMILESO=C(CNc1ccccc1)Nc1cccc2cnccc12
InChIInChI=1S/C17H15N3O/c21-17(12-19-14-6-2-1-3-7-14)20-16-8-4-5-13-11-18-10-9-15(13)16/h1-11,19H,12H2,(H,20,21)
InChIKeyYFFQCGMRIFUWCY-UHFFFAOYSA-N
XLogP3.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-naphthalen-1-ylacetamide
CID 767556
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide
CID 54928661
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
2-anilino-1-isoquinolin-5-ylethanone
CID 116555474
2-anilino-N-(3-methyl-4-pyridinyl)acetamide
CID 63670867
N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]-4-methylbenzamide
CID 29372226
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-isoquinolin-5-ylacetamide?
The IUPAC name of 2-anilino-N-isoquinolin-5-ylacetamide (CID 60860768) is 2-anilino-N-isoquinolin-5-ylacetamide.
What is the SMILES notation for 2-anilino-N-isoquinolin-5-ylacetamide?
The canonical SMILES for 2-anilino-N-isoquinolin-5-ylacetamide is O=C(CNc1ccccc1)Nc1cccc2cnccc12.
What is the InChIKey of 2-anilino-N-isoquinolin-5-ylacetamide?
The InChIKey is YFFQCGMRIFUWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(12-19-14-6-2-1-3-7-14)20-16-8-4-5-13-11-18-10-9-15(13)16/h1-11,19H,12H2,(H,20,21).
What are the key properties of 2-anilino-N-isoquinolin-5-ylacetamide?
2-anilino-N-isoquinolin-5-ylacetamide has a molecular weight of 277.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-isoquinolin-5-ylacetamide is sourced from PubChem (CID 60860768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).