7-chloro-6H-thiochromeno[3,4-c]quinoline

C16H10ClNS — CID 10589078

IUPAC7-chloro-6H-thiochromeno[3,4-c]quinoline
SMILESClc1nc2ccccc2c2c1CSc1ccccc1-2
InChIInChI=1S/C16H10ClNS/c17-16-12-9-19-14-8-4-2-6-11(14)15(12)10-5-1-3-7-13(10)18-16/h1-8H,9H2
InChIKeyWBNFUQLTMNBFTK-UHFFFAOYSA-N
MW283.78 g/mol
LogP5.16
Rot. Bonds

About 7-chloro-6H-thiochromeno[3,4-c]quinoline

7-chloro-6H-thiochromeno[3,4-c]quinoline (PubChem CID 10589078) has the molecular formula C16H10ClNS and a molecular weight of 283.78 g/mol. Its IUPAC name is 7-chloro-6H-thiochromeno[3,4-c]quinoline.

Molecular Properties

Compound Name7-chloro-6H-thiochromeno[3,4-c]quinoline
PubChem CID10589078
Molecular FormulaC16H10ClNS
Molecular Weight283.78 g/mol
Exact Mass283.02
IUPAC Name7-chloro-6H-thiochromeno[3,4-c]quinoline
SMILESClc1nc2ccccc2c2c1CSc1ccccc1-2
InChIInChI=1S/C16H10ClNS/c17-16-12-9-19-14-8-4-2-6-11(14)15(12)10-5-1-3-7-13(10)18-16/h1-8H,9H2
InChIKeyWBNFUQLTMNBFTK-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.78
LogP ≤ 55.16
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 7-chloro-6H-thiochromeno[3,4-c]quinoline?
The IUPAC name of 7-chloro-6H-thiochromeno[3,4-c]quinoline (CID 10589078) is 7-chloro-6H-thiochromeno[3,4-c]quinoline.
What is the SMILES notation for 7-chloro-6H-thiochromeno[3,4-c]quinoline?
The canonical SMILES for 7-chloro-6H-thiochromeno[3,4-c]quinoline is Clc1nc2ccccc2c2c1CSc1ccccc1-2.
What is the InChIKey of 7-chloro-6H-thiochromeno[3,4-c]quinoline?
The InChIKey is WBNFUQLTMNBFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNS/c17-16-12-9-19-14-8-4-2-6-11(14)15(12)10-5-1-3-7-13(10)18-16/h1-8H,9H2.
What are the key properties of 7-chloro-6H-thiochromeno[3,4-c]quinoline?
7-chloro-6H-thiochromeno[3,4-c]quinoline has a molecular weight of 283.78 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6H-thiochromeno[3,4-c]quinoline is sourced from PubChem (CID 10589078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).