4-chlorothieno[3,2-c]quinoline

C11H6ClNS — CID 11701333

IUPAC4-chlorothieno[3,2-c]quinoline
SMILESClc1nc2ccccc2c2sccc12
InChIInChI=1S/C11H6ClNS/c12-11-8-5-6-14-10(8)7-3-1-2-4-9(7)13-11/h1-6H
InChIKeyFFYFVQIUCOSRPH-UHFFFAOYSA-N
MW219.70 g/mol
LogP4.10
Rot. Bonds

About 4-chlorothieno[3,2-c]quinoline

4-chlorothieno[3,2-c]quinoline (PubChem CID 11701333) has the molecular formula C11H6ClNS and a molecular weight of 219.70 g/mol. Its IUPAC name is 4-chlorothieno[3,2-c]quinoline.

Molecular Properties

Compound Name4-chlorothieno[3,2-c]quinoline
PubChem CID11701333
Molecular FormulaC11H6ClNS
Molecular Weight219.70 g/mol
Exact Mass218.99
IUPAC Name4-chlorothieno[3,2-c]quinoline
SMILESClc1nc2ccccc2c2sccc12
InChIInChI=1S/C11H6ClNS/c12-11-8-5-6-14-10(8)7-3-1-2-4-9(7)13-11/h1-6H
InChIKeyFFYFVQIUCOSRPH-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chlorothieno[3,2-c]quinoline?
The IUPAC name of 4-chlorothieno[3,2-c]quinoline (CID 11701333) is 4-chlorothieno[3,2-c]quinoline.
What is the SMILES notation for 4-chlorothieno[3,2-c]quinoline?
The canonical SMILES for 4-chlorothieno[3,2-c]quinoline is Clc1nc2ccccc2c2sccc12.
What is the InChIKey of 4-chlorothieno[3,2-c]quinoline?
The InChIKey is FFYFVQIUCOSRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNS/c12-11-8-5-6-14-10(8)7-3-1-2-4-9(7)13-11/h1-6H.
What are the key properties of 4-chlorothieno[3,2-c]quinoline?
4-chlorothieno[3,2-c]quinoline has a molecular weight of 219.70 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothieno[3,2-c]quinoline is sourced from PubChem (CID 11701333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).