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

C26H17FN4O4 — CID 44548247

IUPAC6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESNc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c2ccccc2n1
InChIInChI=1S/C26H17FN4O4/c27-17-11-19-22(24-15(17)7-9-35-24)21(16-5-3-8-29-25(16)32)23(26(33)34)31(19)12-13-10-20(28)30-18-6-2-1-4-14(13)18/h1-11H,12H2,(H2,28,30)(H,29,32)(H,33,34)
InChIKeyACOLVSIHXBAXKL-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.76
Rot. Bonds4

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

6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 44548247) has the molecular formula C26H17FN4O4 and a molecular weight of 468.44 g/mol. Its IUPAC name is 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID44548247
Molecular FormulaC26H17FN4O4
Molecular Weight468.44 g/mol
Exact Mass468.12
IUPAC Name6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESNc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c2ccccc2n1
InChIInChI=1S/C26H17FN4O4/c27-17-11-19-22(24-15(17)7-9-35-24)21(16-5-3-8-29-25(16)32)23(26(33)34)31(19)12-13-10-20(28)30-18-6-2-1-4-14(13)18/h1-11H,12H2,(H2,28,30)(H,29,32)(H,33,34)
InChIKeyACOLVSIHXBAXKL-UHFFFAOYSA-N
XLogP4.76
TPSA127.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 44548247) is 6-[(2-aminoquinolin-4-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-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c2ccccc2n1.
What is the InChIKey of 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is ACOLVSIHXBAXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN4O4/c27-17-11-19-22(24-15(17)7-9-35-24)21(16-5-3-8-29-25(16)32)23(26(33)34)31(19)12-13-10-20(28)30-18-6-2-1-4-14(13)18/h1-11H,12H2,(H2,28,30)(H,29,32)(H,33,34).
What are the key properties of 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 468.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoquinolin-4-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 44548247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).