6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C21H24N2O4 — CID 125167835

IUPAC6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)Nc1ccc3c(c1)C[C@@H](C)O3)CC2
InChIInChI=1S/C21H24N2O4/c1-13-8-15-9-17(4-5-18(15)27-13)22-21(24)23-7-6-14-10-19(25-2)20(26-3)11-16(14)12-23/h4-5,9-11,13H,6-8,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyFPUBQJCDMJKWSC-CYBMUJFWSA-N
MW368.43 g/mol
LogP3.62
Rot. Bonds3

About 6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 125167835) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID125167835
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)Nc1ccc3c(c1)C[C@@H](C)O3)CC2
InChIInChI=1S/C21H24N2O4/c1-13-8-15-9-17(4-5-18(15)27-13)22-21(24)23-7-6-14-10-19(25-2)20(26-3)11-16(14)12-23/h4-5,9-11,13H,6-8,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyFPUBQJCDMJKWSC-CYBMUJFWSA-N
XLogP3.62
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-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

2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide
CID 72938591
6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 27869928
N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide
CID 97445054
methyl 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoate
CID 4997667
1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 72934847
4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 118794972
(E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-en-1-one
CID 7096765
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 46449144
methyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 14249080
N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 97280953
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
CID 108986314
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 73258919

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 125167835) is 6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cc2c(cc1OC)CN(C(=O)Nc1ccc3c(c1)C[C@@H](C)O3)CC2.
What is the InChIKey of 6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is FPUBQJCDMJKWSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-8-15-9-17(4-5-18(15)27-13)22-21(24)23-7-6-14-10-19(25-2)20(26-3)11-16(14)12-23/h4-5,9-11,13H,6-8,12H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 125167835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).