2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide

C23H22F2N4O4 — CID 170309296

About 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide

2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide (PubChem CID 170309296) has the molecular formula C23H22F2N4O4 and a molecular weight of 456.45 g/mol. Its IUPAC name is 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
• PubChem CID: 170309296
• Molecular Formula: C23H22F2N4O4
• Molecular Weight: 456.45 g/mol
• Exact Mass: 456.16
• IUPAC Name: 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
• SMILES: COc1cc(NC(=O)c2cc3c(nc2N2C[C@@H](F)[C@@H](F)C2)COC3)cc2c(C)cc(=O)[nH]c12
• InChI: InChI=1S/C23H22F2N4O4/c1-11-3-20(30)28-21-14(11)5-13(6-19(21)32-2)26-23(31)15-4-12-9-33-10-18(12)27-22(15)29-7-16(24)17(25)8-29/h3-6,16-17H,7-10H2,1-2H3,(H,26,31)(H,28,30)/t16-,17+
• InChIKey: FCZDUHXOHJIXIR-CALCHBBNSA-N
• XLogP: 3.02
• TPSA: 96.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.45
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?

The IUPAC name of 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide (CID 170309296) is 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?

The canonical SMILES for 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide is COc1cc(NC(=O)c2cc3c(nc2N2C[C@@H](F)[C@@H](F)C2)COC3)cc2c(C)cc(=O)[nH]c12.

What is the InChIKey of 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?

The InChIKey is FCZDUHXOHJIXIR-CALCHBBNSA-N. The full InChI is InChI=1S/C23H22F2N4O4/c1-11-3-20(30)28-21-14(11)5-13(6-19(21)32-2)26-23(31)15-4-12-9-33-10-18(12)27-22(15)29-7-16(24)17(25)8-29/h3-6,16-17H,7-10H2,1-2H3,(H,26,31)(H,28,30)/t16-,17+.

What are the key properties of 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?

2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide has a molecular weight of 456.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 170309296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).