6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid

C104H69F3N12O20 — CID 159485323

IUPAC6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(=O)[nH]c2ccccc12)CCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1cc2[nH]c(=O)ccc2cc1F.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1cc2ccc(=O)[nH]c2cc1F.O=C1NCCc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5ccc43)cc21
InChIInChI=1S/2C26H16FN3O5.C26H18FN3O5.C26H19N3O5/c27-17-10-14-4-6-20(31)29-18(14)11-15(17)12-30-19-5-3-13-7-9-35-24(13)22(19)21(23(30)26(33)34)16-2-1-8-28-25(16)32;27-17-11-18-14(4-6-20(31)29-18)10-15(17)12-30-19-5-3-13-7-9-35-24(13)22(19)21(23(30)26(33)34)16-2-1-8-28-25(16)32;27-18-11-14-5-8-29-25(32)17(14)10-15(18)12-30-19-4-3-13-6-9-35-23(13)21(19)20(22(30)26(33)34)16-2-1-7-28-24(16)31;30-20-12-15(16-4-1-2-6-18(16)28-20)13-29-19-8-7-14-9-11-34-24(14)22(19)21(23(29)26(32)33)17-5-3-10-27-25(17)31/h2*1-11H,12H2,(H,28,32)(H,29,31)(H,33,34);1-4,6-7,9-11H,5,8,12H2,(H,28,31)(H,29,32)(H,33,34);1-8,10,12H,9,11,13H2,(H,27,31)(H,28,30)(H,32,33)
InChIKeyLXMVHJFZDXUBDJ-UHFFFAOYSA-N
MW1863.75 g/mol
LogP16.37
Rot. Bonds16

About 6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid

6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (PubChem CID 159485323) has the molecular formula C104H69F3N12O20 and a molecular weight of 1863.75 g/mol. Its IUPAC name is 6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
PubChem CID159485323
Molecular FormulaC104H69F3N12O20
Molecular Weight1863.75 g/mol
Exact Mass1862.47
IUPAC Name6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(=O)[nH]c2ccccc12)CCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1cc2[nH]c(=O)ccc2cc1F.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1cc2ccc(=O)[nH]c2cc1F.O=C1NCCc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5ccc43)cc21
InChIInChI=1S/2C26H16FN3O5.C26H18FN3O5.C26H19N3O5/c27-17-10-14-4-6-20(31)29-18(14)11-15(17)12-30-19-5-3-13-7-9-35-24(13)22(19)21(23(30)26(33)34)16-2-1-8-28-25(16)32;27-17-11-18-14(4-6-20(31)29-18)10-15(17)12-30-19-5-3-13-7-9-35-24(13)22(19)21(23(30)26(33)34)16-2-1-8-28-25(16)32;27-18-11-14-5-8-29-25(32)17(14)10-15(18)12-30-19-4-3-13-6-9-35-23(13)21(19)20(22(30)26(33)34)16-2-1-7-28-24(16)31;30-20-12-15(16-4-1-2-6-18(16)28-20)13-29-19-8-7-14-9-11-34-24(14)22(19)21(23(29)26(32)33)17-5-3-10-27-25(17)31/h2*1-11H,12H2,(H,28,32)(H,29,31)(H,33,34);1-4,6-7,9-11H,5,8,12H2,(H,28,31)(H,29,32)(H,33,34);1-8,10,12H,9,11,13H2,(H,27,31)(H,28,30)(H,32,33)
InChIKeyLXMVHJFZDXUBDJ-UHFFFAOYSA-N
XLogP16.37
TPSA476.69 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001863.75
LogP ≤ 516.37
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze 6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (CID 159485323) is 6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(=O)[nH]c2ccccc12)CCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1cc2[nH]c(=O)ccc2cc1F.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1cc2ccc(=O)[nH]c2cc1F.O=C1NCCc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5ccc43)cc21.
What is the InChIKey of 6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The InChIKey is LXMVHJFZDXUBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H16FN3O5.C26H18FN3O5.C26H19N3O5/c27-17-10-14-4-6-20(31)29-18(14)11-15(17)12-30-19-5-3-13-7-9-35-24(13)22(19)21(23(30)26(33)34)16-2-1-8-28-25(16)32;27-17-11-18-14(4-6-20(31)29-18)10-15(17)12-30-19-5-3-13-7-9-35-24(13)22(19)21(23(30)26(33)34)16-2-1-8-28-25(16)32;27-18-11-14-5-8-29-25(32)17(14)10-15(18)12-30-19-4-3-13-6-9-35-23(13)21(19)20(22(30)26(33)34)16-2-1-7-28-24(16)31;30-20-12-15(16-4-1-2-6-18(16)28-20)13-29-19-8-7-14-9-11-34-24(14)22(19)21(23(29)26(32)33)17-5-3-10-27-25(17)31/h2*1-11H,12H2,(H,28,32)(H,29,31)(H,33,34);1-4,6-7,9-11H,5,8,12H2,(H,28,31)(H,29,32)(H,33,34);1-8,10,12H,9,11,13H2,(H,27,31)(H,28,30)(H,32,33).
What are the key properties of 6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid has a molecular weight of 1863.75 g/mol, XLogP of 16.37, 16 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-fluoro-2-oxo-1H-quinolin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(7-fluoro-2-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 159485323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).