4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one

C12H11NOS — CID 150004594

IUPAC4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one
SMILESO=C1CSCC2=Nc3ccccc3CC12
InChIInChI=1S/C12H11NOS/c14-12-7-15-6-11-9(12)5-8-3-1-2-4-10(8)13-11/h1-4,9H,5-7H2
InChIKeyDCACMSQKICJNGQ-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.25
Rot. Bonds

About 4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one

4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one (PubChem CID 150004594) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one.

Molecular Properties

Compound Name4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one
PubChem CID150004594
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one
SMILESO=C1CSCC2=Nc3ccccc3CC12
InChIInChI=1S/C12H11NOS/c14-12-7-15-6-11-9(12)5-8-3-1-2-4-10(8)13-11/h1-4,9H,5-7H2
InChIKeyDCACMSQKICJNGQ-UHFFFAOYSA-N
XLogP2.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one?
The IUPAC name of 4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one (CID 150004594) is 4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one.
What is the SMILES notation for 4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one?
The canonical SMILES for 4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one is O=C1CSCC2=Nc3ccccc3CC12.
What is the InChIKey of 4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one?
The InChIKey is DCACMSQKICJNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-12-7-15-6-11-9(12)5-8-3-1-2-4-10(8)13-11/h1-4,9H,5-7H2.
What are the key properties of 4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one?
4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one has a molecular weight of 217.29 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one is sourced from PubChem (CID 150004594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).