N-isoquinolin-5-yl-3,5-dimethoxybenzamide

C18H16N2O3 — CID 8763148

IUPACN-isoquinolin-5-yl-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc3cnccc23)c1
InChIInChI=1S/C18H16N2O3/c1-22-14-8-13(9-15(10-14)23-2)18(21)20-17-5-3-4-12-11-19-7-6-16(12)17/h3-11H,1-2H3,(H,20,21)
InChIKeyCUJLSHHSPIOIOP-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.50
Rot. Bonds4

About N-isoquinolin-5-yl-3,5-dimethoxybenzamide

N-isoquinolin-5-yl-3,5-dimethoxybenzamide (PubChem CID 8763148) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-isoquinolin-5-yl-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-3,5-dimethoxybenzamide
PubChem CID8763148
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-isoquinolin-5-yl-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc3cnccc23)c1
InChIInChI=1S/C18H16N2O3/c1-22-14-8-13(9-15(10-14)23-2)18(21)20-17-5-3-4-12-11-19-7-6-16(12)17/h3-11H,1-2H3,(H,20,21)
InChIKeyCUJLSHHSPIOIOP-UHFFFAOYSA-N
XLogP3.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-isoquinolin-5-yl-4-methoxy-3-nitrobenzamide
CID 8763192
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
CID 62180377
4-amino-3-fluoro-N-isoquinolin-5-ylbenzamide
CID 62677576
N-isoquinolin-5-yl-2-methylbenzamide
CID 110483002
N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide
CID 7576784
N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 166391502
5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 29372005
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-[2-[(3-amino-4-pyridinyl)sulfanylmethyl]phenyl]-3,5-dimethoxybenzamide
CID 143409221
2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide
CID 62159599
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-3,5-dimethoxybenzamide?
The IUPAC name of N-isoquinolin-5-yl-3,5-dimethoxybenzamide (CID 8763148) is N-isoquinolin-5-yl-3,5-dimethoxybenzamide.
What is the SMILES notation for N-isoquinolin-5-yl-3,5-dimethoxybenzamide?
The canonical SMILES for N-isoquinolin-5-yl-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cccc3cnccc23)c1.
What is the InChIKey of N-isoquinolin-5-yl-3,5-dimethoxybenzamide?
The InChIKey is CUJLSHHSPIOIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-14-8-13(9-15(10-14)23-2)18(21)20-17-5-3-4-12-11-19-7-6-16(12)17/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-isoquinolin-5-yl-3,5-dimethoxybenzamide?
N-isoquinolin-5-yl-3,5-dimethoxybenzamide has a molecular weight of 308.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-3,5-dimethoxybenzamide is sourced from PubChem (CID 8763148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).