N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide

C23H22N2O3 — CID 16943267

About N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide

N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide (PubChem CID 16943267) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide.

Molecular Properties

• Compound Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide
• PubChem CID: 16943267
• Molecular Formula: C23H22N2O3
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.16
• IUPAC Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide
• SMILES: Cc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1C
• InChI: InChI=1S/C23H22N2O3/c1-15-5-6-18(12-16(15)2)22(26)24-20-8-7-17-9-10-25(14-19(17)13-20)23(27)21-4-3-11-28-21/h3-8,11-13H,9-10,14H2,1-2H3,(H,24,26)
• InChIKey: JQQLEUJROWQZBW-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide?

The IUPAC name of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide (CID 16943267) is N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide.

What is the SMILES notation for N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide?

The canonical SMILES for N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1C.

What is the InChIKey of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide?

The InChIKey is JQQLEUJROWQZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-15-5-6-18(12-16(15)2)22(26)24-20-8-7-17-9-10-25(14-19(17)13-20)23(27)21-4-3-11-28-21/h3-8,11-13H,9-10,14H2,1-2H3,(H,24,26).

What are the key properties of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide?

N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 16943267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).