6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione

C11H6ClNO3 — CID 19090071

IUPAC6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione
SMILESO=C1OCc2[nH]c3cc(Cl)ccc3c(=O)c21
InChIInChI=1S/C11H6ClNO3/c12-5-1-2-6-7(3-5)13-8-4-16-11(15)9(8)10(6)14/h1-3H,4H2,(H,13,14)
InChIKeySBHSOCAGGSRBLG-UHFFFAOYSA-N
MW235.63 g/mol
LogP1.85
Rot. Bonds

About 6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione

6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione (PubChem CID 19090071) has the molecular formula C11H6ClNO3 and a molecular weight of 235.63 g/mol. Its IUPAC name is 6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione.

Molecular Properties

Compound Name6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione
PubChem CID19090071
Molecular FormulaC11H6ClNO3
Molecular Weight235.63 g/mol
Exact Mass235.00
IUPAC Name6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione
SMILESO=C1OCc2[nH]c3cc(Cl)ccc3c(=O)c21
InChIInChI=1S/C11H6ClNO3/c12-5-1-2-6-7(3-5)13-8-4-16-11(15)9(8)10(6)14/h1-3H,4H2,(H,13,14)
InChIKeySBHSOCAGGSRBLG-UHFFFAOYSA-N
XLogP1.85
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione?
The IUPAC name of 6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione (CID 19090071) is 6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione.
What is the SMILES notation for 6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione?
The canonical SMILES for 6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione is O=C1OCc2[nH]c3cc(Cl)ccc3c(=O)c21.
What is the InChIKey of 6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione?
The InChIKey is SBHSOCAGGSRBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO3/c12-5-1-2-6-7(3-5)13-8-4-16-11(15)9(8)10(6)14/h1-3H,4H2,(H,13,14).
What are the key properties of 6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione?
6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione has a molecular weight of 235.63 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione is sourced from PubChem (CID 19090071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).