(4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one

C19H24N2O4 — CID 94018225

About (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one

(4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one (PubChem CID 94018225) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
• PubChem CID: 94018225
• Molecular Formula: C19H24N2O4
• Molecular Weight: 344.41 g/mol
• Exact Mass: 344.17
• IUPAC Name: (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
• SMILES: COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(C3CC3)C1)CC2
• InChI: InChI=1S/C19H24N2O4/c1-24-16-7-12-5-6-20(10-13(12)8-17(16)25-2)19(23)14-9-18(22)21(11-14)15-3-4-15/h7-8,14-15H,3-6,9-11H2,1-2H3/t14-/m1/s1
• InChIKey: QLIPRLHPOLRDHS-CQSZACIVSA-N
• XLogP: 1.60
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.41
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?

The IUPAC name of (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one (CID 94018225) is (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one.

What is the SMILES notation for (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?

The canonical SMILES for (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one is COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(C3CC3)C1)CC2.

What is the InChIKey of (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?

The InChIKey is QLIPRLHPOLRDHS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-24-16-7-12-5-6-20(10-13(12)8-17(16)25-2)19(23)14-9-18(22)21(11-14)15-3-4-15/h7-8,14-15H,3-6,9-11H2,1-2H3/t14-/m1/s1.

What are the key properties of (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?

(4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one has a molecular weight of 344.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 94018225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).