N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide

C32H32N2O4 — CID 42710474

About N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide

N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide (PubChem CID 42710474) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide
• PubChem CID: 42710474
• Molecular Formula: C32H32N2O4
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.24
• IUPAC Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide
• SMILES: COc1cc2c(cc1OC)CN(C(=O)CN(CCc1ccccc1)C(=O)c1ccc3ccccc3c1)CC2
• InChI: InChI=1S/C32H32N2O4/c1-37-29-19-26-15-17-33(21-28(26)20-30(29)38-2)31(35)22-34(16-14-23-8-4-3-5-9-23)32(36)27-13-12-24-10-6-7-11-25(24)18-27/h3-13,18-20H,14-17,21-22H2,1-2H3
• InChIKey: BYIQVMNYBQKOHO-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide?

The IUPAC name of N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide (CID 42710474) is N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide.

What is the SMILES notation for N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide?

The canonical SMILES for N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide is COc1cc2c(cc1OC)CN(C(=O)CN(CCc1ccccc1)C(=O)c1ccc3ccccc3c1)CC2.

What is the InChIKey of N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide?

The InChIKey is BYIQVMNYBQKOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-37-29-19-26-15-17-33(21-28(26)20-30(29)38-2)31(35)22-34(16-14-23-8-4-3-5-9-23)32(36)27-13-12-24-10-6-7-11-25(24)18-27/h3-13,18-20H,14-17,21-22H2,1-2H3.

What are the key properties of N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide?

N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide has a molecular weight of 508.62 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 42710474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).