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

C22H19N3OS — CID 141492944

IUPAC3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESCCc1ccc(C2c3[nH]c4ccccc4c(=O)c3CN2c2ccccn2)s1
InChIInChI=1S/C22H19N3OS/c1-2-14-10-11-18(27-14)21-20-16(13-25(21)19-9-5-6-12-23-19)22(26)15-7-3-4-8-17(15)24-20/h3-12,21H,2,13H2,1H3,(H,24,26)
InChIKeyYRLVYYTXZPEBCJ-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.66
Rot. Bonds3

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

3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 141492944) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
PubChem CID141492944
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESCCc1ccc(C2c3[nH]c4ccccc4c(=O)c3CN2c2ccccn2)s1
InChIInChI=1S/C22H19N3OS/c1-2-14-10-11-18(27-14)21-20-16(13-25(21)19-9-5-6-12-23-19)22(26)15-7-3-4-8-17(15)24-20/h3-12,21H,2,13H2,1H3,(H,24,26)
InChIKeyYRLVYYTXZPEBCJ-UHFFFAOYSA-N
XLogP4.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 141492944) is 3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is CCc1ccc(C2c3[nH]c4ccccc4c(=O)c3CN2c2ccccn2)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The InChIKey is YRLVYYTXZPEBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-2-14-10-11-18(27-14)21-20-16(13-25(21)19-9-5-6-12-23-19)22(26)15-7-3-4-8-17(15)24-20/h3-12,21H,2,13H2,1H3,(H,24,26).
What are the key properties of 3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 373.48 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 141492944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).