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

C29H21N3O4 — CID 11754694

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-3-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=C(c1ccc(-c2cccnc2)o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)CCO2
InChIInChI=1S/C29H21N3O4/c33-28-20-5-1-2-6-22(20)31-26-21(28)16-32(27(26)18-7-8-23-17(14-18)11-13-35-23)29(34)25-10-9-24(36-25)19-4-3-12-30-15-19/h1-10,12,14-15,27H,11,13,16H2,(H,31,33)
InChIKeyZPFOXJASRZLHNP-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.86
Rot. Bonds3

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

3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-3-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 11754694) has the molecular formula C29H21N3O4 and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-3-ylfuran-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-(5-pyridin-3-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
PubChem CID11754694
Molecular FormulaC29H21N3O4
Molecular Weight475.50 g/mol
Exact Mass475.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-3-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=C(c1ccc(-c2cccnc2)o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)CCO2
InChIInChI=1S/C29H21N3O4/c33-28-20-5-1-2-6-22(20)31-26-21(28)16-32(27(26)18-7-8-23-17(14-18)11-13-35-23)29(34)25-10-9-24(36-25)19-4-3-12-30-15-19/h1-10,12,14-15,27H,11,13,16H2,(H,31,33)
InChIKeyZPFOXJASRZLHNP-UHFFFAOYSA-N
XLogP4.86
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-3-ylfuran-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-(5-pyridin-3-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 11754694) is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-3-ylfuran-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-(5-pyridin-3-ylfuran-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-(5-pyridin-3-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is O=C(c1ccc(-c2cccnc2)o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-3-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The InChIKey is ZPFOXJASRZLHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O4/c33-28-20-5-1-2-6-22(20)31-26-21(28)16-32(27(26)18-7-8-23-17(14-18)11-13-35-23)29(34)25-10-9-24(36-25)19-4-3-12-30-15-19/h1-10,12,14-15,27H,11,13,16H2,(H,31,33).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-3-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-3-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 475.50 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 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-(5-pyridin-3-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 11754694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).