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

C13H14N2S — CID 57098793

IUPAC2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine
SMILESCC1CCc2nc3ccccc3c(N)c2S1
InChIInChI=1S/C13H14N2S/c1-8-6-7-11-13(16-8)12(14)9-4-2-3-5-10(9)15-11/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyADXWXJQHPOMIRN-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.24
Rot. Bonds

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

2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine (PubChem CID 57098793) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine
PubChem CID57098793
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine
SMILESCC1CCc2nc3ccccc3c(N)c2S1
InChIInChI=1S/C13H14N2S/c1-8-6-7-11-13(16-8)12(14)9-4-2-3-5-10(9)15-11/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyADXWXJQHPOMIRN-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine?
The IUPAC name of 2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine (CID 57098793) is 2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine is CC1CCc2nc3ccccc3c(N)c2S1.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine?
The InChIKey is ADXWXJQHPOMIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-8-6-7-11-13(16-8)12(14)9-4-2-3-5-10(9)15-11/h2-5,8H,6-7H2,1H3,(H2,14,15).
What are the key properties of 2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine?
2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine has a molecular weight of 230.34 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine is sourced from PubChem (CID 57098793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).