2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide

C18H16FN3O — CID 24998256

IUPAC2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide
SMILESO=C(CNCc1cccc(F)c1)Nc1ccc2cnccc2c1
InChIInChI=1S/C18H16FN3O/c19-16-3-1-2-13(8-16)10-21-12-18(23)22-17-5-4-15-11-20-7-6-14(15)9-17/h1-9,11,21H,10,12H2,(H,22,23)
InChIKeyCVQPABYHZOJZLD-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.10
Rot. Bonds5

About 2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide

2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide (PubChem CID 24998256) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide
PubChem CID24998256
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide
SMILESO=C(CNCc1cccc(F)c1)Nc1ccc2cnccc2c1
InChIInChI=1S/C18H16FN3O/c19-16-3-1-2-13(8-16)10-21-12-18(23)22-17-5-4-15-11-20-7-6-14(15)9-17/h1-9,11,21H,10,12H2,(H,22,23)
InChIKeyCVQPABYHZOJZLD-UHFFFAOYSA-N
XLogP3.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide (CID 24998256) is 2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide is O=C(CNCc1cccc(F)c1)Nc1ccc2cnccc2c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide?
The InChIKey is CVQPABYHZOJZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-16-3-1-2-13(8-16)10-21-12-18(23)22-17-5-4-15-11-20-7-6-14(15)9-17/h1-9,11,21H,10,12H2,(H,22,23).
What are the key properties of 2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide?
2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide has a molecular weight of 309.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide is sourced from PubChem (CID 24998256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).