[4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine

C15H14N2OS — CID 107781032

IUPAC[4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
SMILESCc1occc1Sc1c(CN)cnc2ccccc12
InChIInChI=1S/C15H14N2OS/c1-10-14(6-7-18-10)19-15-11(8-16)9-17-13-5-3-2-4-12(13)15/h2-7,9H,8,16H2,1H3
InChIKeyPKYICTKVFGWZLT-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.75
Rot. Bonds3

About [4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine

[4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine (PubChem CID 107781032) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is [4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
PubChem CID107781032
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name[4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
SMILESCc1occc1Sc1c(CN)cnc2ccccc12
InChIInChI=1S/C15H14N2OS/c1-10-14(6-7-18-10)19-15-11(8-16)9-17-13-5-3-2-4-12(13)15/h2-7,9H,8,16H2,1H3
InChIKeyPKYICTKVFGWZLT-UHFFFAOYSA-N
XLogP3.75
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine?
The IUPAC name of [4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine (CID 107781032) is [4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine.
What is the SMILES notation for [4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine?
The canonical SMILES for [4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine is Cc1occc1Sc1c(CN)cnc2ccccc12.
What is the InChIKey of [4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine?
The InChIKey is PKYICTKVFGWZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-14(6-7-18-10)19-15-11(8-16)9-17-13-5-3-2-4-12(13)15/h2-7,9H,8,16H2,1H3.
What are the key properties of [4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine?
[4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine has a molecular weight of 270.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine is sourced from PubChem (CID 107781032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).