N-isoquinolin-1-yl-2-methoxybenzamide

C17H14N2O2 — CID 53439282

IUPACN-isoquinolin-1-yl-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nccc2ccccc12
InChIInChI=1S/C17H14N2O2/c1-21-15-9-5-4-8-14(15)17(20)19-16-13-7-3-2-6-12(13)10-11-18-16/h2-11H,1H3,(H,18,19,20)
InChIKeyHJVGYPJWJUZBTH-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.50
Rot. Bonds3

About N-isoquinolin-1-yl-2-methoxybenzamide

N-isoquinolin-1-yl-2-methoxybenzamide (PubChem CID 53439282) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-isoquinolin-1-yl-2-methoxybenzamide.

Molecular Properties

Compound NameN-isoquinolin-1-yl-2-methoxybenzamide
PubChem CID53439282
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-isoquinolin-1-yl-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nccc2ccccc12
InChIInChI=1S/C17H14N2O2/c1-21-15-9-5-4-8-14(15)17(20)19-16-13-7-3-2-6-12(13)10-11-18-16/h2-11H,1H3,(H,18,19,20)
InChIKeyHJVGYPJWJUZBTH-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate
CID 110443915
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684
N-isoquinolin-1-yl-2,2-dimethylpropanamide
CID 598735
2-methoxy-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24685535
2-methoxybenzohydrazide
CID 24051
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
4-bromo-3-[(2-chlorobenzoyl)amino]-N-isoquinolin-1-yl-1H-pyrazole-5-carboxamide
CID 11328902
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
methyl 2-(isoquinoline-1-carbonylamino)benzoate
CID 110861602
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
2-methoxy-N-[3-oxo-3-(quinolin-8-ylamino)propyl]benzamide
CID 38266767

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-1-yl-2-methoxybenzamide?
The IUPAC name of N-isoquinolin-1-yl-2-methoxybenzamide (CID 53439282) is N-isoquinolin-1-yl-2-methoxybenzamide.
What is the SMILES notation for N-isoquinolin-1-yl-2-methoxybenzamide?
The canonical SMILES for N-isoquinolin-1-yl-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nccc2ccccc12.
What is the InChIKey of N-isoquinolin-1-yl-2-methoxybenzamide?
The InChIKey is HJVGYPJWJUZBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-15-9-5-4-8-14(15)17(20)19-16-13-7-3-2-6-12(13)10-11-18-16/h2-11H,1H3,(H,18,19,20).
What are the key properties of N-isoquinolin-1-yl-2-methoxybenzamide?
N-isoquinolin-1-yl-2-methoxybenzamide has a molecular weight of 278.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-1-yl-2-methoxybenzamide is sourced from PubChem (CID 53439282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).