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

C27H22N4OS — CID 141492938

IUPAC3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESCCc1ccc(C2c3[nH]c4ccccc4c(=O)c3CN2c2ccc(-c3ccccn3)cn2)s1
InChIInChI=1S/C27H22N4OS/c1-2-18-11-12-23(33-18)26-25-20(27(32)19-7-3-4-9-22(19)30-25)16-31(26)24-13-10-17(15-29-24)21-8-5-6-14-28-21/h3-15,26H,2,16H2,1H3,(H,30,32)
InChIKeyPZTJSJAXDQEKNB-UHFFFAOYSA-N
MW450.57 g/mol
LogP5.72
Rot. Bonds4

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

3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 141492938) has the molecular formula C27H22N4OS and a molecular weight of 450.57 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
PubChem CID141492938
Molecular FormulaC27H22N4OS
Molecular Weight450.57 g/mol
Exact Mass450.15
IUPAC Name3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESCCc1ccc(C2c3[nH]c4ccccc4c(=O)c3CN2c2ccc(-c3ccccn3)cn2)s1
InChIInChI=1S/C27H22N4OS/c1-2-18-11-12-23(33-18)26-25-20(27(32)19-7-3-4-9-22(19)30-25)16-31(26)24-13-10-17(15-29-24)21-8-5-6-14-28-21/h3-15,26H,2,16H2,1H3,(H,30,32)
InChIKeyPZTJSJAXDQEKNB-UHFFFAOYSA-N
XLogP5.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.57
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 141492938) is 3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is CCc1ccc(C2c3[nH]c4ccccc4c(=O)c3CN2c2ccc(-c3ccccn3)cn2)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The InChIKey is PZTJSJAXDQEKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4OS/c1-2-18-11-12-23(33-18)26-25-20(27(32)19-7-3-4-9-22(19)30-25)16-31(26)24-13-10-17(15-29-24)21-8-5-6-14-28-21/h3-15,26H,2,16H2,1H3,(H,30,32).
What are the key properties of 3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 450.57 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 141492938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).