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

C26H15ClFN3O4 — CID 58371479

IUPAC6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cnc2ccccc2c1Cl
InChIInChI=1S/C26H15ClFN3O4/c27-22-13(11-30-18-6-2-1-4-15(18)22)12-31-19-10-17(28)14-7-9-35-24(14)21(19)20(23(31)26(33)34)16-5-3-8-29-25(16)32/h1-11H,12H2,(H,29,32)(H,33,34)
InChIKeyYDVKRYMUNZGIPZ-UHFFFAOYSA-N
MW487.87 g/mol
LogP5.83
Rot. Bonds4

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

6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 58371479) has the molecular formula C26H15ClFN3O4 and a molecular weight of 487.87 g/mol. Its IUPAC name is 6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID58371479
Molecular FormulaC26H15ClFN3O4
Molecular Weight487.87 g/mol
Exact Mass487.07
IUPAC Name6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cnc2ccccc2c1Cl
InChIInChI=1S/C26H15ClFN3O4/c27-22-13(11-30-18-6-2-1-4-15(18)22)12-31-19-10-17(28)14-7-9-35-24(14)21(19)20(23(31)26(33)34)16-5-3-8-29-25(16)32/h1-11H,12H2,(H,29,32)(H,33,34)
InChIKeyYDVKRYMUNZGIPZ-UHFFFAOYSA-N
XLogP5.83
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.87
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Fluoranyl-6-[(7-Fluoranyl-4-Oxidanylidene-3h-Quinazolin-6-Yl)methyl]-8-(2-Oxidanylidene-1h-Pyridin-3-Yl)furo[2,3-E]indole-7-Carboxylic Acid
CID 135566393
6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 25172916
6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
CID 25173543
3-chloro-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 25173546
ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
CID 44546719
6-[(2-amino-4-quinolyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 44548247
4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 44548902
6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 44548904
4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 44549053
6-[(2,5-difluorophenyl)methyl]-2-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 49774150
6-[(2,5-difluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 49774153
6-[(5-carbamoyl-2-fluoro-phenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 49774170

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 58371479) is 6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cnc2ccccc2c1Cl.
What is the InChIKey of 6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is YDVKRYMUNZGIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15ClFN3O4/c27-22-13(11-30-18-6-2-1-4-15(18)22)12-31-19-10-17(28)14-7-9-35-24(14)21(19)20(23(31)26(33)34)16-5-3-8-29-25(16)32/h1-11H,12H2,(H,29,32)(H,33,34).
What are the key properties of 6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 487.87 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 58371479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).