7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione

C11H6ClNO4 — CID 21474022

IUPAC7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione
SMILESO=C1OC(O)c2c1c(=O)[nH]c1cc(Cl)ccc21
InChIInChI=1S/C11H6ClNO4/c12-4-1-2-5-6(3-4)13-9(14)8-7(5)10(15)17-11(8)16/h1-3,10,15H,(H,13,14)
InChIKeyAQNUJCPLSOTWEA-UHFFFAOYSA-N
MW251.62 g/mol
LogP1.34
Rot. Bonds

About 7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione

7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione (PubChem CID 21474022) has the molecular formula C11H6ClNO4 and a molecular weight of 251.62 g/mol. Its IUPAC name is 7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione.

Molecular Properties

Compound Name7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione
PubChem CID21474022
Molecular FormulaC11H6ClNO4
Molecular Weight251.62 g/mol
Exact Mass251.00
IUPAC Name7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione
SMILESO=C1OC(O)c2c1c(=O)[nH]c1cc(Cl)ccc21
InChIInChI=1S/C11H6ClNO4/c12-4-1-2-5-6(3-4)13-9(14)8-7(5)10(15)17-11(8)16/h1-3,10,15H,(H,13,14)
InChIKeyAQNUJCPLSOTWEA-UHFFFAOYSA-N
XLogP1.34
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.62
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione?
The IUPAC name of 7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione (CID 21474022) is 7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione.
What is the SMILES notation for 7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione?
The canonical SMILES for 7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione is O=C1OC(O)c2c1c(=O)[nH]c1cc(Cl)ccc21.
What is the InChIKey of 7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione?
The InChIKey is AQNUJCPLSOTWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO4/c12-4-1-2-5-6(3-4)13-9(14)8-7(5)10(15)17-11(8)16/h1-3,10,15H,(H,13,14).
What are the key properties of 7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione?
7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione has a molecular weight of 251.62 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione is sourced from PubChem (CID 21474022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).