4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline

C₂₁H₁₅NOS — CID 118719750

About 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline

4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline (PubChem CID 118719750) has the molecular formula C₂₁H₁₅NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline
• PubChem CID: 118719750
• Molecular Formula: C₂₁H₁₅NOS
• Molecular Weight: 329.42 g/mol
• Exact Mass: 329.09
• IUPAC Name: 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline
• SMILES: c1coc(-c2cc(-c3cccs3)nc3c2CCc2ccccc2-3)c1
• InChI: InChI=1S/C21H15NOS/c1-2-6-15-14(5-1)9-10-16-17(19-7-3-11-23-19)13-18(22-21(15)16)20-8-4-12-24-20/h1-8,11-13H,9-10H2
• InChIKey: CTFLGABSBSRLPD-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 26.03 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	329.42
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline?

The IUPAC name of 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline (CID 118719750) is 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline.

What is the SMILES notation for 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline?

The canonical SMILES for 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline is c1coc(-c2cc(-c3cccs3)nc3c2CCc2ccccc2-3)c1.

What is the InChIKey of 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline?

The InChIKey is CTFLGABSBSRLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c1-2-6-15-14(5-1)9-10-16-17(19-7-3-11-23-19)13-18(22-21(15)16)20-8-4-12-24-20/h1-8,11-13H,9-10H2.

What are the key properties of 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline?

4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline has a molecular weight of 329.42 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline is sourced from PubChem (CID 118719750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118719750 — identifiers, structure, computed properties (public domain)

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