2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate

C28H23ClFN5O4 — CID 44548248

About 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate

2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate (PubChem CID 44548248) has the molecular formula C28H23ClFN5O4 and a molecular weight of 547.97 g/mol. Its IUPAC name is 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate.

Molecular Properties

• Compound Name: 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate
• PubChem CID: 44548248
• Molecular Formula: C28H23ClFN5O4
• Molecular Weight: 547.97 g/mol
• Exact Mass: 547.14
• IUPAC Name: 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate
• SMILES: CNCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2cccnc2nc1Cl)CCO3
• InChI: InChI=1S/C28H23ClFN5O4/c1-31-9-11-39-28(37)23-21(18-5-3-8-33-27(18)36)22-20(13-19(30)17-6-10-38-24(17)22)35(23)14-16-12-15-4-2-7-32-26(15)34-25(16)29/h2-5,7-8,12-13,31H,6,9-11,14H2,1H3,(H,33,36)
• InChIKey: YLNLCIWQEUFGNI-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 111.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.97
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate?

The IUPAC name of 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate (CID 44548248) is 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate.

What is the SMILES notation for 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate?

The canonical SMILES for 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate is CNCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2cccnc2nc1Cl)CCO3.

What is the InChIKey of 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate?

The InChIKey is YLNLCIWQEUFGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFN5O4/c1-31-9-11-39-28(37)23-21(18-5-3-8-33-27(18)36)22-20(13-19(30)17-6-10-38-24(17)22)35(23)14-16-12-15-4-2-7-32-26(15)34-25(16)29/h2-5,7-8,12-13,31H,6,9-11,14H2,1H3,(H,33,36).

What are the key properties of 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate?

2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate has a molecular weight of 547.97 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(methylamino)ethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 44548248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).