6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid

C106H70Cl2F3N9O17 — CID 162142482

About 6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid

6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid (PubChem CID 162142482) has the molecular formula C106H70Cl2F3N9O17 and a molecular weight of 1869.67 g/mol. Its IUPAC name is 6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid
• PubChem CID: 162142482
• Molecular Formula: C106H70Cl2F3N9O17
• Molecular Weight: 1869.67 g/mol
• Exact Mass: 1867.42
• IUPAC Name: 6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid
• SMILES: O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc3ccccc3nc2Cl)c2ccc3c(c12)OCC3.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc3ccccc3nc2Cl)c2ccc3ccoc3c12.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2nc(C3CC3)ccc2F)c2cc(F)c3ccoc3c12.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2nc3ccccc3[nH]c2=O)c2cc(F)c3ccoc3c12
• InChI: InChI=1S/C27H19ClN2O4.C27H17ClN2O4.C26H18F2N2O4.C26H16FN3O5/c2*28-26-17(13-16-5-1-3-7-19(16)29-26)14-30-20-10-9-15-11-12-34-25(15)23(20)22(24(30)27(32)33)18-6-2-4-8-21(18)31;27-16-7-8-18(13-5-6-13)29-19(16)12-30-20-11-17(28)14-9-10-34-25(14)23(20)22(24(30)26(32)33)15-3-1-2-4-21(15)31;27-15-11-19-22(24-13(15)9-10-35-24)21(14-5-1-4-8-20(14)31)23(26(33)34)30(19)12-18-25(32)29-17-7-3-2-6-16(17)28-18/h1-7,9-10,13H,8,11-12,14H2,(H,32,33);1-7,9-13H,8,14H2,(H,32,33);1-3,7-11,13H,4-6,12H2,(H,32,33);1-7,9-11H,8,12H2,(H,29,32)(H,33,34)
• InChIKey: ZKCMEXXTXLCQRJ-UHFFFAOYSA-N
• XLogP: 21.70
• TPSA: 370.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.67
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

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]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?

The IUPAC name of 6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid (CID 162142482) is 6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid.

What is the SMILES notation for 6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?

The canonical SMILES for 6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid is O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc3ccccc3nc2Cl)c2ccc3c(c12)OCC3.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc3ccccc3nc2Cl)c2ccc3ccoc3c12.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2nc(C3CC3)ccc2F)c2cc(F)c3ccoc3c12.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2nc3ccccc3[nH]c2=O)c2cc(F)c3ccoc3c12.

What is the InChIKey of 6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?

The InChIKey is ZKCMEXXTXLCQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O4.C27H17ClN2O4.C26H18F2N2O4.C26H16FN3O5/c2*28-26-17(13-16-5-1-3-7-19(16)29-26)14-30-20-10-9-15-11-12-34-25(15)23(20)22(24(30)27(32)33)18-6-2-4-8-21(18)31;27-16-7-8-18(13-5-6-13)29-19(16)12-30-20-11-17(28)14-9-10-34-25(14)23(20)22(24(30)26(32)33)15-3-1-2-4-21(15)31;27-15-11-19-22(24-13(15)9-10-35-24)21(14-5-1-4-8-20(14)31)23(26(33)34)30(19)12-18-25(32)29-17-7-3-2-6-16(17)28-18/h1-7,9-10,13H,8,11-12,14H2,(H,32,33);1-7,9-13H,8,14H2,(H,32,33);1-3,7-11,13H,4-6,12H2,(H,32,33);1-7,9-11H,8,12H2,(H,29,32)(H,33,34).

What are the key properties of 6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?

6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 1869.67 g/mol, XLogP of 21.70, 17 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;6-[(2-chloroquinolin-3-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(3-oxo-4H-quinoxalin-2-yl)methyl]furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 162142482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).