3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one

C26H24N2O5 — CID 24761913

About 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one

3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one (PubChem CID 24761913) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one
• PubChem CID: 24761913
• Molecular Formula: C26H24N2O5
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.17
• IUPAC Name: 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one
• SMILES: COc1cc2c(cc1OC)C(c1cc3ccc(C)cc3[nH]c1=O)N(C(=O)c1ccco1)CC2
• InChI: InChI=1S/C26H24N2O5/c1-15-6-7-17-12-19(25(29)27-20(17)11-15)24-18-14-23(32-3)22(31-2)13-16(18)8-9-28(24)26(30)21-5-4-10-33-21/h4-7,10-14,24H,8-9H2,1-3H3,(H,27,29)
• InChIKey: OBYYIWGSYDPEIF-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 84.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one?

The IUPAC name of 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one (CID 24761913) is 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one?

The canonical SMILES for 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1cc3ccc(C)cc3[nH]c1=O)N(C(=O)c1ccco1)CC2.

What is the InChIKey of 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one?

The InChIKey is OBYYIWGSYDPEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-15-6-7-17-12-19(25(29)27-20(17)11-15)24-18-14-23(32-3)22(31-2)13-16(18)8-9-28(24)26(30)21-5-4-10-33-21/h4-7,10-14,24H,8-9H2,1-3H3,(H,27,29).

What are the key properties of 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one?

3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one has a molecular weight of 444.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(furan-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 24761913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).