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

C26H15F2N3O5 — CID 58371522

IUPAC4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-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)cc2n1Cc1cc2c(=O)cc[nH]c2cc1F
InChIInChI=1S/C26H15F2N3O5/c27-16-9-18-15(20(32)3-6-29-18)8-12(16)11-31-19-10-17(28)13-4-7-36-24(13)22(19)21(23(31)26(34)35)14-2-1-5-30-25(14)33/h1-10H,11H2,(H,29,32)(H,30,33)(H,34,35)
InChIKeyWPOTYULMRHXYES-UHFFFAOYSA-N
MW487.42 g/mol
LogP4.61
Rot. Bonds4

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

4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 58371522) has the molecular formula C26H15F2N3O5 and a molecular weight of 487.42 g/mol. Its IUPAC name is 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID58371522
Molecular FormulaC26H15F2N3O5
Molecular Weight487.42 g/mol
Exact Mass487.10
IUPAC Name4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-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)cc2n1Cc1cc2c(=O)cc[nH]c2cc1F
InChIInChI=1S/C26H15F2N3O5/c27-16-9-18-15(20(32)3-6-29-18)8-12(16)11-31-19-10-17(28)13-4-7-36-24(13)22(19)21(23(31)26(34)35)14-2-1-5-30-25(14)33/h1-10H,11H2,(H,29,32)(H,30,33)(H,34,35)
InChIKeyWPOTYULMRHXYES-UHFFFAOYSA-N
XLogP4.61
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.42
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 58371522) is 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-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)cc2n1Cc1cc2c(=O)cc[nH]c2cc1F.
What is the InChIKey of 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is WPOTYULMRHXYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F2N3O5/c27-16-9-18-15(20(32)3-6-29-18)8-12(16)11-31-19-10-17(28)13-4-7-36-24(13)22(19)21(23(31)26(34)35)14-2-1-5-30-25(14)33/h1-10H,11H2,(H,29,32)(H,30,33)(H,34,35).
What are the key properties of 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 487.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 58371522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).