12H-thiochromeno[2,3-h]quinoline

C16H11NS — CID 66742944

IUPAC12H-thiochromeno[2,3-h]quinoline
SMILESc1ccc2c(c1)Cc1c(ccc3cccnc13)S2
InChIInChI=1S/C16H11NS/c1-2-6-14-12(4-1)10-13-15(18-14)8-7-11-5-3-9-17-16(11)13/h1-9H,10H2
InChIKeyWFERSZXWMRXNDD-UHFFFAOYSA-N
MW249.34 g/mol
LogP4.29
Rot. Bonds

About 12H-thiochromeno[2,3-h]quinoline

12H-thiochromeno[2,3-h]quinoline (PubChem CID 66742944) has the molecular formula C16H11NS and a molecular weight of 249.34 g/mol. Its IUPAC name is 12H-thiochromeno[2,3-h]quinoline.

Molecular Properties

Compound Name12H-thiochromeno[2,3-h]quinoline
PubChem CID66742944
Molecular FormulaC16H11NS
Molecular Weight249.34 g/mol
Exact Mass249.06
IUPAC Name12H-thiochromeno[2,3-h]quinoline
SMILESc1ccc2c(c1)Cc1c(ccc3cccnc13)S2
InChIInChI=1S/C16H11NS/c1-2-6-14-12(4-1)10-13-15(18-14)8-7-11-5-3-9-17-16(11)13/h1-9H,10H2
InChIKeyWFERSZXWMRXNDD-UHFFFAOYSA-N
XLogP4.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12H-thiochromeno[2,3-h]quinoline?
The IUPAC name of 12H-thiochromeno[2,3-h]quinoline (CID 66742944) is 12H-thiochromeno[2,3-h]quinoline.
What is the SMILES notation for 12H-thiochromeno[2,3-h]quinoline?
The canonical SMILES for 12H-thiochromeno[2,3-h]quinoline is c1ccc2c(c1)Cc1c(ccc3cccnc13)S2.
What is the InChIKey of 12H-thiochromeno[2,3-h]quinoline?
The InChIKey is WFERSZXWMRXNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NS/c1-2-6-14-12(4-1)10-13-15(18-14)8-7-11-5-3-9-17-16(11)13/h1-9H,10H2.
What are the key properties of 12H-thiochromeno[2,3-h]quinoline?
12H-thiochromeno[2,3-h]quinoline has a molecular weight of 249.34 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-thiochromeno[2,3-h]quinoline is sourced from PubChem (CID 66742944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).