4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide

C17H14N2O2 — CID 52936781

IUPAC4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc3c(=O)[nH]ccc23)cc1
InChIInChI=1S/C17H14N2O2/c1-11-5-7-12(8-6-11)16(20)19-15-4-2-3-14-13(15)9-10-18-17(14)21/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyILBWWQBNKIIFFE-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.09
Rot. Bonds2

About 4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide

4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide (PubChem CID 52936781) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide
PubChem CID52936781
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc3c(=O)[nH]ccc23)cc1
InChIInChI=1S/C17H14N2O2/c1-11-5-7-12(8-6-11)16(20)19-15-4-2-3-14-13(15)9-10-18-17(14)21/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyILBWWQBNKIIFFE-UHFFFAOYSA-N
XLogP3.09
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide
CID 167952573
2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide
CID 52936895
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
CID 113368778
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
N-[5-(pyridine-4-carbonylamino)naphthalen-1-yl]pyridine-4-carboxamide
CID 101437440
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
4-methyl-N-(4-oxochromen-3-yl)benzamide
CID 155539705
3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 167945675
5-[4-(dimethylamino)phenyl]-N-(1-oxo-2H-isoquinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 90827875
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
4-(4-acetylphenyl)-N-naphthalen-1-ylbenzamide
CID 170421600

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide?
The IUPAC name of 4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide (CID 52936781) is 4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide is Cc1ccc(C(=O)Nc2cccc3c(=O)[nH]ccc23)cc1.
What is the InChIKey of 4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide?
The InChIKey is ILBWWQBNKIIFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-5-7-12(8-6-11)16(20)19-15-4-2-3-14-13(15)9-10-18-17(14)21/h2-10H,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide?
4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide has a molecular weight of 278.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide is sourced from PubChem (CID 52936781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).