2-(1-benzothiophen-2-yl)benzo[g]quinoline

C21H13NS — CID 102420322

IUPAC2-(1-benzothiophen-2-yl)benzo[g]quinoline
SMILESc1ccc2cc3nc(-c4cc5ccccc5s4)ccc3cc2c1
InChIInChI=1S/C21H13NS/c1-2-6-15-12-19-16(11-14(15)5-1)9-10-18(22-19)21-13-17-7-3-4-8-20(17)23-21/h1-13H
InChIKeyDQPQFDTWRLCBOV-UHFFFAOYSA-N
MW311.41 g/mol
LogP6.27
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)benzo[g]quinoline

2-(1-benzothiophen-2-yl)benzo[g]quinoline (PubChem CID 102420322) has the molecular formula C21H13NS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)benzo[g]quinoline.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)benzo[g]quinoline
PubChem CID102420322
Molecular FormulaC21H13NS
Molecular Weight311.41 g/mol
Exact Mass311.08
IUPAC Name2-(1-benzothiophen-2-yl)benzo[g]quinoline
SMILESc1ccc2cc3nc(-c4cc5ccccc5s4)ccc3cc2c1
InChIInChI=1S/C21H13NS/c1-2-6-15-12-19-16(11-14(15)5-1)9-10-18(22-19)21-13-17-7-3-4-8-20(17)23-21/h1-13H
InChIKeyDQPQFDTWRLCBOV-UHFFFAOYSA-N
XLogP6.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.41
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)benzo[g]quinoline?
The IUPAC name of 2-(1-benzothiophen-2-yl)benzo[g]quinoline (CID 102420322) is 2-(1-benzothiophen-2-yl)benzo[g]quinoline.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)benzo[g]quinoline?
The canonical SMILES for 2-(1-benzothiophen-2-yl)benzo[g]quinoline is c1ccc2cc3nc(-c4cc5ccccc5s4)ccc3cc2c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)benzo[g]quinoline?
The InChIKey is DQPQFDTWRLCBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NS/c1-2-6-15-12-19-16(11-14(15)5-1)9-10-18(22-19)21-13-17-7-3-4-8-20(17)23-21/h1-13H.
What are the key properties of 2-(1-benzothiophen-2-yl)benzo[g]quinoline?
2-(1-benzothiophen-2-yl)benzo[g]quinoline has a molecular weight of 311.41 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)benzo[g]quinoline is sourced from PubChem (CID 102420322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).