7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine

C13H14N2S — CID 14580246

IUPAC7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine
SMILESCc1ccc2c(N)c3c(nc2c1)CCSC3
InChIInChI=1S/C13H14N2S/c1-8-2-3-9-12(6-8)15-11-4-5-16-7-10(11)13(9)14/h2-3,6H,4-5,7H2,1H3,(H2,14,15)
InChIKeyNHJSUIHEYDIVFH-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.91
Rot. Bonds

About 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine

7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine (PubChem CID 14580246) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine
PubChem CID14580246
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine
SMILESCc1ccc2c(N)c3c(nc2c1)CCSC3
InChIInChI=1S/C13H14N2S/c1-8-2-3-9-12(6-8)15-11-4-5-16-7-10(11)13(9)14/h2-3,6H,4-5,7H2,1H3,(H2,14,15)
InChIKeyNHJSUIHEYDIVFH-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
The IUPAC name of 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine (CID 14580246) is 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine.
What is the SMILES notation for 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
The canonical SMILES for 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine is Cc1ccc2c(N)c3c(nc2c1)CCSC3.
What is the InChIKey of 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
The InChIKey is NHJSUIHEYDIVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-8-2-3-9-12(6-8)15-11-4-5-16-7-10(11)13(9)14/h2-3,6H,4-5,7H2,1H3,(H2,14,15).
What are the key properties of 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine has a molecular weight of 230.34 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine is sourced from PubChem (CID 14580246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).