N-isoquinolin-5-yl-2-methylbenzamide

C17H14N2O — CID 110483002

IUPACN-isoquinolin-5-yl-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C17H14N2O/c1-12-5-2-3-7-14(12)17(20)19-16-8-4-6-13-11-18-10-9-15(13)16/h2-11H,1H3,(H,19,20)
InChIKeyRJYYSYPEIVGNCM-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.80
Rot. Bonds2

About N-isoquinolin-5-yl-2-methylbenzamide

N-isoquinolin-5-yl-2-methylbenzamide (PubChem CID 110483002) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is N-isoquinolin-5-yl-2-methylbenzamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-2-methylbenzamide
PubChem CID110483002
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC NameN-isoquinolin-5-yl-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C17H14N2O/c1-12-5-2-3-7-14(12)17(20)19-16-8-4-6-13-11-18-10-9-15(13)16/h2-11H,1H3,(H,19,20)
InChIKeyRJYYSYPEIVGNCM-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-chloro-N-isoquinolin-5-ylbenzamide
CID 115540126
N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide
CID 110857655
2-chloro-N-isoquinolin-5-ylfuran-3-carboxamide
CID 106685472
3-hydroxy-N-naphthalen-1-ylpyridine-4-carboxamide
CID 81443161
2-methyl-N-(2-methylphenyl)-1,6-naphthyridine-3-carboxamide
CID 110856628
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420
N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide
CID 7576784
4-tert-butyl-2-chloro-N-isoquinolin-5-ylbenzamide
CID 70931135
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
CID 62180377
2-amino-3-fluoro-N-isoquinolin-5-ylpyridine-4-carboxamide
CID 105385052
N-isoquinolin-5-yl-3,5-dimethoxybenzamide
CID 8763148
2-hydroxy-N-(4-methyl-3-pyridinyl)benzamide
CID 63327806

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-2-methylbenzamide?
The IUPAC name of N-isoquinolin-5-yl-2-methylbenzamide (CID 110483002) is N-isoquinolin-5-yl-2-methylbenzamide.
What is the SMILES notation for N-isoquinolin-5-yl-2-methylbenzamide?
The canonical SMILES for N-isoquinolin-5-yl-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cccc2cnccc12.
What is the InChIKey of N-isoquinolin-5-yl-2-methylbenzamide?
The InChIKey is RJYYSYPEIVGNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-5-2-3-7-14(12)17(20)19-16-8-4-6-13-11-18-10-9-15(13)16/h2-11H,1H3,(H,19,20).
What are the key properties of N-isoquinolin-5-yl-2-methylbenzamide?
N-isoquinolin-5-yl-2-methylbenzamide has a molecular weight of 262.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-2-methylbenzamide is sourced from PubChem (CID 110483002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).