propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

C34H31FN4O5 — CID 58371532

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

propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (PubChem CID 58371532) has the molecular formula C34H31FN4O5 and a molecular weight of 594.64 g/mol. Its IUPAC name is propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

• Compound Name: propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
• PubChem CID: 58371532
• Molecular Formula: C34H31FN4O5
• Molecular Weight: 594.64 g/mol
• Exact Mass: 594.23
• IUPAC Name: propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
• SMILES: CCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(CC(=O)CN(C)C)nc2ccccc12
• InChI: InChI=1S/C34H31FN4O5/c1-4-13-44-34(42)31-29(25-9-7-12-36-33(25)41)30-28(17-26(35)24-11-14-43-32(24)30)39(31)18-20-15-21(16-22(40)19-38(2)3)37-27-10-6-5-8-23(20)27/h5-12,14-15,17H,4,13,16,18-19H2,1-3H3,(H,36,41)
• InChIKey: LUUFNPBHRFCRGR-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 110.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.64
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (CID 58371532) is propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-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 propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?

The canonical SMILES for propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is CCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(CC(=O)CN(C)C)nc2ccccc12.

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

The InChIKey is LUUFNPBHRFCRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31FN4O5/c1-4-13-44-34(42)31-29(25-9-7-12-36-33(25)41)30-28(17-26(35)24-11-14-43-32(24)30)39(31)18-20-15-21(16-22(40)19-38(2)3)37-27-10-6-5-8-23(20)27/h5-12,14-15,17H,4,13,16,18-19H2,1-3H3,(H,36,41).

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

propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 594.64 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 58371532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).