2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

C28H22FN5O4 — CID 44547778

About 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (PubChem CID 44547778) has the molecular formula C28H22FN5O4 and a molecular weight of 511.51 g/mol. Its IUPAC name is 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

• Compound Name: 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
• PubChem CID: 44547778
• Molecular Formula: C28H22FN5O4
• Molecular Weight: 511.51 g/mol
• Exact Mass: 511.17
• IUPAC Name: 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
• SMILES: NCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(N)nc2ccccc12
• InChI: InChI=1S/C28H22FN5O4/c29-19-13-21-24(26-17(19)7-10-37-26)23(18-5-3-9-32-27(18)35)25(28(36)38-11-8-30)34(21)14-15-12-22(31)33-20-6-2-1-4-16(15)20/h1-7,9-10,12-13H,8,11,14,30H2,(H2,31,33)(H,32,35)
• InChIKey: FHHCZEUNXJWRKB-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 142.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.51
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?

The IUPAC name of 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (CID 44547778) is 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.

What is the SMILES notation for 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?

The canonical SMILES for 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is NCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(N)nc2ccccc12.

What is the InChIKey of 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?

The InChIKey is FHHCZEUNXJWRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O4/c29-19-13-21-24(26-17(19)7-10-37-26)23(18-5-3-9-32-27(18)35)25(28(36)38-11-8-30)34(21)14-15-12-22(31)33-20-6-2-1-4-16(15)20/h1-7,9-10,12-13H,8,11,14,30H2,(H2,31,33)(H,32,35).

What are the key properties of 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?

2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 511.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 44547778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).