6-thiophen-2-ylindeno[2,1-c]quinolin-7-one

C20H11NOS — CID 3080463

IUPAC6-thiophen-2-ylindeno[2,1-c]quinolin-7-one
SMILESO=C1c2ccccc2-c2c1c(-c1cccs1)nc1ccccc21
InChIInChI=1S/C20H11NOS/c22-20-13-7-2-1-6-12(13)17-14-8-3-4-9-15(14)21-19(18(17)20)16-10-5-11-23-16/h1-11H
InChIKeyMRYJZGFSTHJFQY-UHFFFAOYSA-N
MW313.38 g/mol
LogP5.17
Rot. Bonds1

About 6-thiophen-2-ylindeno[2,1-c]quinolin-7-one

6-thiophen-2-ylindeno[2,1-c]quinolin-7-one (PubChem CID 3080463) has the molecular formula C20H11NOS and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-thiophen-2-ylindeno[2,1-c]quinolin-7-one.

Molecular Properties

Compound Name6-thiophen-2-ylindeno[2,1-c]quinolin-7-one
PubChem CID3080463
Molecular FormulaC20H11NOS
Molecular Weight313.38 g/mol
Exact Mass313.06
IUPAC Name6-thiophen-2-ylindeno[2,1-c]quinolin-7-one
SMILESO=C1c2ccccc2-c2c1c(-c1cccs1)nc1ccccc21
InChIInChI=1S/C20H11NOS/c22-20-13-7-2-1-6-12(13)17-14-8-3-4-9-15(14)21-19(18(17)20)16-10-5-11-23-16/h1-11H
InChIKeyMRYJZGFSTHJFQY-UHFFFAOYSA-N
XLogP5.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-ylindeno[2,1-c]quinolin-7-one?
The IUPAC name of 6-thiophen-2-ylindeno[2,1-c]quinolin-7-one (CID 3080463) is 6-thiophen-2-ylindeno[2,1-c]quinolin-7-one.
What is the SMILES notation for 6-thiophen-2-ylindeno[2,1-c]quinolin-7-one?
The canonical SMILES for 6-thiophen-2-ylindeno[2,1-c]quinolin-7-one is O=C1c2ccccc2-c2c1c(-c1cccs1)nc1ccccc21.
What is the InChIKey of 6-thiophen-2-ylindeno[2,1-c]quinolin-7-one?
The InChIKey is MRYJZGFSTHJFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NOS/c22-20-13-7-2-1-6-12(13)17-14-8-3-4-9-15(14)21-19(18(17)20)16-10-5-11-23-16/h1-11H.
What are the key properties of 6-thiophen-2-ylindeno[2,1-c]quinolin-7-one?
6-thiophen-2-ylindeno[2,1-c]quinolin-7-one has a molecular weight of 313.38 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-ylindeno[2,1-c]quinolin-7-one is sourced from PubChem (CID 3080463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).