3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

C28H20N2O5 — CID 11826705

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=C(c1cc2ccc(O)cc2o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)CCO2
InChIInChI=1S/C28H20N2O5/c31-18-7-5-15-12-24(35-23(15)13-18)28(33)30-14-20-25(29-21-4-2-1-3-19(21)27(20)32)26(30)17-6-8-22-16(11-17)9-10-34-22/h1-8,11-13,26,31H,9-10,14H2,(H,29,32)
InChIKeyAGOUXYCQPXDRIN-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.66
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 11826705) has the molecular formula C28H20N2O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
PubChem CID11826705
Molecular FormulaC28H20N2O5
Molecular Weight464.48 g/mol
Exact Mass464.14
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=C(c1cc2ccc(O)cc2o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)CCO2
InChIInChI=1S/C28H20N2O5/c31-18-7-5-15-12-24(35-23(15)13-18)28(33)30-14-20-25(29-21-4-2-1-3-19(21)27(20)32)26(30)17-6-8-22-16(11-17)9-10-34-22/h1-8,11-13,26,31H,9-10,14H2,(H,29,32)
InChIKeyAGOUXYCQPXDRIN-UHFFFAOYSA-N
XLogP4.66
TPSA95.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 11826705) is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is O=C(c1cc2ccc(O)cc2o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The InChIKey is AGOUXYCQPXDRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O5/c31-18-7-5-15-12-24(35-23(15)13-18)28(33)30-14-20-25(29-21-4-2-1-3-19(21)27(20)32)26(30)17-6-8-22-16(11-17)9-10-34-22/h1-8,11-13,26,31H,9-10,14H2,(H,29,32).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 464.48 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(6-hydroxy-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 11826705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).