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

C28H19N3O5 — CID 11123630

IUPAC3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=C(c1ccc(-c2ccncc2)o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C28H19N3O5/c32-27-18-3-1-2-4-20(18)30-25-19(27)14-31(26(25)17-5-6-22-24(13-17)35-15-34-22)28(33)23-8-7-21(36-23)16-9-11-29-12-10-16/h1-13,26H,14-15H2,(H,30,32)
InChIKeyVIEGJXZYPZFMLT-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.66
Rot. Bonds3

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

3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 11123630) has the molecular formula C28H19N3O5 and a molecular weight of 477.48 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
PubChem CID11123630
Molecular FormulaC28H19N3O5
Molecular Weight477.48 g/mol
Exact Mass477.13
IUPAC Name3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=C(c1ccc(-c2ccncc2)o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C28H19N3O5/c32-27-18-3-1-2-4-20(18)30-25-19(27)14-31(26(25)17-5-6-22-24(13-17)35-15-34-22)28(33)23-8-7-21(36-23)16-9-11-29-12-10-16/h1-13,26H,14-15H2,(H,30,32)
InChIKeyVIEGJXZYPZFMLT-UHFFFAOYSA-N
XLogP4.66
TPSA97.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrahydro-pyrrolo[3,4-b]quinoline-2-carboxylic acid pyridin-4-ylmethyl ester
CID 9803328
(R)-3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrahydro-pyrrolo[3,4-b]quinoline-2-carboxylic acid pyridin-4-ylmethyl ester
CID 9954942
4-[5-(3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrahydro-pyrrolo[3,4-b]quinoline-2-carbonyl)-furan-2-yl]-benzoic acid methyl ester
CID 11092703
3-Benzo[1,3]dioxol-5-yl-2-[5-(3-trifluoromethyl-phenyl)-furan-2-carbonyl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 12993027
3-Benzo[1,3]dioxol-5-yl-2-{5-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-furan-2-carbonyl}-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 10145438
3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-furan-2-carbonyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11754694
3-Benzo[1,3]dioxol-5-yl-2-(5-pyridin-3-yl-furan-2-carbonyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11762536
(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-(5-phenyl-furan-2-yl)-methanone
CID 10161792
4-[5-(3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrahydro-pyrrolo[3,4-b]quinoline-2-carbonyl)-furan-2-yl]-benzaldehyde
CID 10983963
3-Benzo[1,3]dioxol-5-yl-2-[5-(4-methoxy-phenyl)-furan-2-carbonyl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11071221
(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone
CID 12020635
N-(Benzo[d][1,3]dioxol-5-ylmethyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 59636707

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 11123630) is 3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is O=C(c1ccc(-c2ccncc2)o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The InChIKey is VIEGJXZYPZFMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O5/c32-27-18-3-1-2-4-20(18)30-25-19(27)14-31(26(25)17-5-6-22-24(13-17)35-15-34-22)28(33)23-8-7-21(36-23)16-9-11-29-12-10-16/h1-13,26H,14-15H2,(H,30,32).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 477.48 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-2-(5-pyridin-4-ylfuran-2-carbonyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 11123630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).