6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate

C80H55F3N8O15 — CID 123424491

About 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate

6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate (PubChem CID 123424491) has the molecular formula C80H55F3N8O15 and a molecular weight of 1425.35 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

• Compound Name: 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate
• PubChem CID: 123424491
• Molecular Formula: C80H55F3N8O15
• Molecular Weight: 1425.35 g/mol
• Exact Mass: 1424.37
• IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate
• SMILES: COC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc(N)nc2ccccc12.Cn1c(=O)cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c2ccccc21.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1CC1COc2ccccc2O1
• InChI: InChI=1S/C28H20FN3O4.C27H18FN3O5.C25H17FN2O6/c1-35-28(34)26-24(18-7-3-5-9-22(18)33)25-21(13-19(29)17-10-11-36-27(17)25)32(26)14-15-12-23(30)31-20-8-4-2-6-16(15)20;1-30-19-7-3-2-5-15(19)14(11-21(30)32)13-31-20-12-18(28)16-8-10-36-25(16)23(20)22(24(31)27(34)35)17-6-4-9-29-26(17)33;26-16-10-17-21(23-14(16)7-9-32-23)20(15-4-3-8-27-24(15)29)22(25(30)31)28(17)11-13-12-33-18-5-1-2-6-19(18)34-13/h2-8,10-13H,9,14H2,1H3,(H2,30,31);2-12H,13H2,1H3,(H,29,33)(H,34,35);1-10,13H,11-12H2,(H,27,29)(H,30,31)
• InChIKey: NLRIRIZXJSZFKJ-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 317.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1425.35
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate?

The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate (CID 123424491) is 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate.

What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate?

The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate is COC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc(N)nc2ccccc12.Cn1c(=O)cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c2ccccc21.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1CC1COc2ccccc2O1.

What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate?

The InChIKey is NLRIRIZXJSZFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN3O4.C27H18FN3O5.C25H17FN2O6/c1-35-28(34)26-24(18-7-3-5-9-22(18)33)25-21(13-19(29)17-10-11-36-27(17)25)32(26)14-15-12-23(30)31-20-8-4-2-6-16(15)20;1-30-19-7-3-2-5-15(19)14(11-21(30)32)13-31-20-12-18(28)16-8-10-36-25(16)23(20)22(24(31)27(34)35)17-6-4-9-29-26(17)33;26-16-10-17-21(23-14(16)7-9-32-23)20(15-4-3-8-27-24(15)29)22(25(30)31)28(17)11-13-12-33-18-5-1-2-6-19(18)34-13/h2-8,10-13H,9,14H2,1H3,(H2,30,31);2-12H,13H2,1H3,(H,29,33)(H,34,35);1-10,13H,11-12H2,(H,27,29)(H,30,31).

What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate?

6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 1425.35 g/mol, XLogP of 14.30, 12 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(1-methyl-2-oxoquinolin-4-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methyl 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 123424491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).