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

C25H18FN5O5 — CID 121477701

IUPAC6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESNN1C(=O)C(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)Nc2ccccc21
InChIInChI=1S/C25H18FN5O5/c26-14-10-18-20(22-12(14)7-9-36-22)19(13-4-3-8-28-23(13)32)21(25(34)35)30(18)11-16-24(33)31(27)17-6-2-1-5-15(17)29-16/h1-10,16,29H,11,27H2,(H,28,32)(H,34,35)
InChIKeyZOZPDZSTPHXIMR-UHFFFAOYSA-N
MW487.45 g/mol
LogP3.28
Rot. Bonds4

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

6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 121477701) has the molecular formula C25H18FN5O5 and a molecular weight of 487.45 g/mol. Its IUPAC name is 6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID121477701
Molecular FormulaC25H18FN5O5
Molecular Weight487.45 g/mol
Exact Mass487.13
IUPAC Name6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESNN1C(=O)C(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)Nc2ccccc21
InChIInChI=1S/C25H18FN5O5/c26-14-10-18-20(22-12(14)7-9-36-22)19(13-4-3-8-28-23(13)32)21(25(34)35)30(18)11-16-24(33)31(27)17-6-2-1-5-15(17)29-16/h1-10,16,29H,11,27H2,(H,28,32)(H,34,35)
InChIKeyZOZPDZSTPHXIMR-UHFFFAOYSA-N
XLogP3.28
TPSA146.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.45
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-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-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 121477701) is 6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-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-amino-3-oxo-1,2-dihydroquinoxalin-2-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-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is NN1C(=O)C(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)Nc2ccccc21.
What is the InChIKey of 6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is ZOZPDZSTPHXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O5/c26-14-10-18-20(22-12(14)7-9-36-22)19(13-4-3-8-28-23(13)32)21(25(34)35)30(18)11-16-24(33)31(27)17-6-2-1-5-15(17)29-16/h1-10,16,29H,11,27H2,(H,28,32)(H,34,35).
What are the key properties of 6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 487.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 121477701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).