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

C26H16FN3O5 — CID 44548752

IUPAC4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C26H16FN3O5/c27-17-11-19-22(24-15(17)7-9-35-24)21(16-5-3-8-28-25(16)32)23(26(33)34)30(19)12-13-10-20(31)29-18-6-2-1-4-14(13)18/h1-11H,12H2,(H,28,32)(H,29,31)(H,33,34)
InChIKeyBJCFOCNOFQKPCF-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.47
Rot. Bonds4

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

4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid (PubChem CID 44548752) has the molecular formula C26H16FN3O5 and a molecular weight of 469.43 g/mol. Its IUPAC name is 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid
PubChem CID44548752
Molecular FormulaC26H16FN3O5
Molecular Weight469.43 g/mol
Exact Mass469.11
IUPAC Name4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C26H16FN3O5/c27-17-11-19-22(24-15(17)7-9-35-24)21(16-5-3-8-28-25(16)32)23(26(33)34)30(19)12-13-10-20(31)29-18-6-2-1-4-14(13)18/h1-11H,12H2,(H,28,32)(H,29,31)(H,33,34)
InChIKeyBJCFOCNOFQKPCF-UHFFFAOYSA-N
XLogP4.47
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid (CID 44548752) is 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is BJCFOCNOFQKPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16FN3O5/c27-17-11-19-22(24-15(17)7-9-35-24)21(16-5-3-8-28-25(16)32)23(26(33)34)30(19)12-13-10-20(31)29-18-6-2-1-4-14(13)18/h1-11H,12H2,(H,28,32)(H,29,31)(H,33,34).
What are the key properties of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 469.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 44548752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).