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

C12H12N2S — CID 826684

IUPAC3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine
SMILESNc1c2c(nc3ccccc13)CSCC2
InChIInChI=1S/C12H12N2S/c13-12-8-3-1-2-4-10(8)14-11-7-15-6-5-9(11)12/h1-4H,5-7H2,(H2,13,14)
InChIKeyBLHLCUPWDRSWNT-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.61
Rot. Bonds

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

3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine (PubChem CID 826684) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine.

Molecular Properties

Compound Name3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine
PubChem CID826684
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine
SMILESNc1c2c(nc3ccccc13)CSCC2
InChIInChI=1S/C12H12N2S/c13-12-8-3-1-2-4-10(8)14-11-7-15-6-5-9(11)12/h1-4H,5-7H2,(H2,13,14)
InChIKeyBLHLCUPWDRSWNT-UHFFFAOYSA-N
XLogP2.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine?
The IUPAC name of 3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine (CID 826684) is 3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine.
What is the SMILES notation for 3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine?
The canonical SMILES for 3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine is Nc1c2c(nc3ccccc13)CSCC2.
What is the InChIKey of 3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine?
The InChIKey is BLHLCUPWDRSWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-12-8-3-1-2-4-10(8)14-11-7-15-6-5-9(11)12/h1-4H,5-7H2,(H2,13,14).
What are the key properties of 3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine?
3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine has a molecular weight of 216.31 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-thiopyrano[3,4-b]quinolin-5-amine is sourced from PubChem (CID 826684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).