3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine

C12H12N2S — CID 57191889

IUPAC3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine
SMILESNc1c2c(nc3ccccc13)CCCS2
InChIInChI=1S/C12H12N2S/c13-11-8-4-1-2-5-9(8)14-10-6-3-7-15-12(10)11/h1-2,4-5H,3,6-7H2,(H2,13,14)
InChIKeyKWZUPPRTCHZSCB-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.86
Rot. Bonds

About 3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine

3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine (PubChem CID 57191889) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine.

Molecular Properties

Compound Name3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine
PubChem CID57191889
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine
SMILESNc1c2c(nc3ccccc13)CCCS2
InChIInChI=1S/C12H12N2S/c13-11-8-4-1-2-5-9(8)14-10-6-3-7-15-12(10)11/h1-2,4-5H,3,6-7H2,(H2,13,14)
InChIKeyKWZUPPRTCHZSCB-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine?
The IUPAC name of 3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine (CID 57191889) is 3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine.
What is the SMILES notation for 3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine?
The canonical SMILES for 3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine is Nc1c2c(nc3ccccc13)CCCS2.
What is the InChIKey of 3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine?
The InChIKey is KWZUPPRTCHZSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-11-8-4-1-2-5-9(8)14-10-6-3-7-15-12(10)11/h1-2,4-5H,3,6-7H2,(H2,13,14).
What are the key properties of 3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine?
3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine has a molecular weight of 216.31 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine is sourced from PubChem (CID 57191889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).