6-thiophen-2-yl-7H-indeno[2,1-c]quinoline

C20H13NS — CID 3080467

IUPAC6-thiophen-2-yl-7H-indeno[2,1-c]quinoline
SMILESc1csc(-c2nc3ccccc3c3c2Cc2ccccc2-3)c1
InChIInChI=1S/C20H13NS/c1-2-7-14-13(6-1)12-16-19(14)15-8-3-4-9-17(15)21-20(16)18-10-5-11-22-18/h1-11H,12H2
InChIKeyQUVCAPQQZJTEBX-UHFFFAOYSA-N
MW299.40 g/mol
LogP5.53
Rot. Bonds1

About 6-thiophen-2-yl-7H-indeno[2,1-c]quinoline

6-thiophen-2-yl-7H-indeno[2,1-c]quinoline (PubChem CID 3080467) has the molecular formula C20H13NS and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-thiophen-2-yl-7H-indeno[2,1-c]quinoline.

Molecular Properties

Compound Name6-thiophen-2-yl-7H-indeno[2,1-c]quinoline
PubChem CID3080467
Molecular FormulaC20H13NS
Molecular Weight299.40 g/mol
Exact Mass299.08
IUPAC Name6-thiophen-2-yl-7H-indeno[2,1-c]quinoline
SMILESc1csc(-c2nc3ccccc3c3c2Cc2ccccc2-3)c1
InChIInChI=1S/C20H13NS/c1-2-7-14-13(6-1)12-16-19(14)15-8-3-4-9-17(15)21-20(16)18-10-5-11-22-18/h1-11H,12H2
InChIKeyQUVCAPQQZJTEBX-UHFFFAOYSA-N
XLogP5.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.40
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
The IUPAC name of 6-thiophen-2-yl-7H-indeno[2,1-c]quinoline (CID 3080467) is 6-thiophen-2-yl-7H-indeno[2,1-c]quinoline.
What is the SMILES notation for 6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
The canonical SMILES for 6-thiophen-2-yl-7H-indeno[2,1-c]quinoline is c1csc(-c2nc3ccccc3c3c2Cc2ccccc2-3)c1.
What is the InChIKey of 6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
The InChIKey is QUVCAPQQZJTEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NS/c1-2-7-14-13(6-1)12-16-19(14)15-8-3-4-9-17(15)21-20(16)18-10-5-11-22-18/h1-11H,12H2.
What are the key properties of 6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
6-thiophen-2-yl-7H-indeno[2,1-c]quinoline has a molecular weight of 299.40 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-7H-indeno[2,1-c]quinoline is sourced from PubChem (CID 3080467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).