6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid

C26H17ClFN3O4 — CID 57328760

About 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid

6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (PubChem CID 57328760) has the molecular formula C26H17ClFN3O4 and a molecular weight of 489.89 g/mol. Its IUPAC name is 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
• PubChem CID: 57328760
• Molecular Formula: C26H17ClFN3O4
• Molecular Weight: 489.89 g/mol
• Exact Mass: 489.09
• IUPAC Name: 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
• SMILES: O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2ccccc2nc1Cl)CCO3
• InChI: InChI=1S/C26H17ClFN3O4/c27-24-14(10-13-4-1-2-6-18(13)30-24)12-31-19-11-17(28)15-7-9-35-23(15)21(19)20(22(31)26(33)34)16-5-3-8-29-25(16)32/h1-6,8,10-11H,7,9,12H2,(H,29,32)(H,33,34)
• InChIKey: ZAQIBMCQNBVVIK-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 97.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.89
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?

The IUPAC name of 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (CID 57328760) is 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.

What is the SMILES notation for 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?

The canonical SMILES for 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2ccccc2nc1Cl)CCO3.

What is the InChIKey of 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?

The InChIKey is ZAQIBMCQNBVVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClFN3O4/c27-24-14(10-13-4-1-2-6-18(13)30-24)12-31-19-11-17(28)15-7-9-35-23(15)21(19)20(22(31)26(33)34)16-5-3-8-29-25(16)32/h1-6,8,10-11H,7,9,12H2,(H,29,32)(H,33,34).

What are the key properties of 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?

6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid has a molecular weight of 489.89 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 57328760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).