2-isoquinolin-5-ylbenzamide

C16H12N2O — CID 39817654

IUPAC2-isoquinolin-5-ylbenzamide
SMILESNC(=O)c1ccccc1-c1cccc2cnccc12
InChIInChI=1S/C16H12N2O/c17-16(19)15-6-2-1-5-14(15)13-7-3-4-11-10-18-9-8-12(11)13/h1-10H,(H2,17,19)
InChIKeyOIHBJBPDDYNXPJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.00
Rot. Bonds2

About 2-isoquinolin-5-ylbenzamide

2-isoquinolin-5-ylbenzamide (PubChem CID 39817654) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-isoquinolin-5-ylbenzamide.

Molecular Properties

Compound Name2-isoquinolin-5-ylbenzamide
PubChem CID39817654
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name2-isoquinolin-5-ylbenzamide
SMILESNC(=O)c1ccccc1-c1cccc2cnccc12
InChIInChI=1S/C16H12N2O/c17-16(19)15-6-2-1-5-14(15)13-7-3-4-11-10-18-9-8-12(11)13/h1-10H,(H2,17,19)
InChIKeyOIHBJBPDDYNXPJ-UHFFFAOYSA-N
XLogP3.00
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-ylbenzamide?
The IUPAC name of 2-isoquinolin-5-ylbenzamide (CID 39817654) is 2-isoquinolin-5-ylbenzamide.
What is the SMILES notation for 2-isoquinolin-5-ylbenzamide?
The canonical SMILES for 2-isoquinolin-5-ylbenzamide is NC(=O)c1ccccc1-c1cccc2cnccc12.
What is the InChIKey of 2-isoquinolin-5-ylbenzamide?
The InChIKey is OIHBJBPDDYNXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c17-16(19)15-6-2-1-5-14(15)13-7-3-4-11-10-18-9-8-12(11)13/h1-10H,(H2,17,19).
What are the key properties of 2-isoquinolin-5-ylbenzamide?
2-isoquinolin-5-ylbenzamide has a molecular weight of 248.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-ylbenzamide is sourced from PubChem (CID 39817654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).