N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide

C18H16N2O3 — CID 110860541

IUPACN-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3ccccc3cn2)c1
InChIInChI=1S/C18H16N2O3/c1-22-14-7-8-17(23-2)15(10-14)20-18(21)16-9-12-5-3-4-6-13(12)11-19-16/h3-11H,1-2H3,(H,20,21)
InChIKeyPQYIZNDYEYIYAL-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.50
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide

N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide (PubChem CID 110860541) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
PubChem CID110860541
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3ccccc3cn2)c1
InChIInChI=1S/C18H16N2O3/c1-22-14-7-8-17(23-2)15(10-14)20-18(21)16-9-12-5-3-4-6-13(12)11-19-16/h3-11H,1-2H3,(H,20,21)
InChIKeyPQYIZNDYEYIYAL-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

Analyze N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)isoquinoline-3-carboxamide
CID 110859992
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
N-(2,5-dimethoxyphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374016
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394490
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
N-(2,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190329
6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100075
N-(2,5-dimethoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179771
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2,5-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190528
2-N-(2,5-dimethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090853
6-amino-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62241119

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide (CID 110860541) is N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cc3ccccc3cn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide?
The InChIKey is PQYIZNDYEYIYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-14-7-8-17(23-2)15(10-14)20-18(21)16-9-12-5-3-4-6-13(12)11-19-16/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide?
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide 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-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 110860541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).