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

C26H17F2N3O5 — CID 44547780

IUPAC4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)cc[nH]c2cc1F)CCO3
InChIInChI=1S/C26H17F2N3O5/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/h1-3,5-6,8-10H,4,7,11H2,(H,29,32)(H,30,33)(H,34,35)
InChIKeyRMNLUQXJBQIYBX-UHFFFAOYSA-N
MW489.43 g/mol
LogP3.80
Rot. Bonds4

About 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[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)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (PubChem CID 44547780) has the molecular formula C26H17F2N3O5 and a molecular weight of 489.43 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)-2,3-dihydrofuro[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)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
PubChem CID44547780
Molecular FormulaC26H17F2N3O5
Molecular Weight489.43 g/mol
Exact Mass489.11
IUPAC Name4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)cc[nH]c2cc1F)CCO3
InChIInChI=1S/C26H17F2N3O5/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/h1-3,5-6,8-10H,4,7,11H2,(H,29,32)(H,30,33)(H,34,35)
InChIKeyRMNLUQXJBQIYBX-UHFFFAOYSA-N
XLogP3.80
TPSA117.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.43
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-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 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[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)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (CID 44547780) is 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[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)-2,3-dihydrofuro[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)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)cc[nH]c2cc1F)CCO3.
What is the InChIKey of 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The InChIKey is RMNLUQXJBQIYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N3O5/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/h1-3,5-6,8-10H,4,7,11H2,(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)-2,3-dihydrofuro[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)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid has a molecular weight of 489.43 g/mol, XLogP of 3.80, 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)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 44547780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).