1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine

C17H18N2OS — CID 107783659

IUPAC1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine
SMILESCc1occc1Sc1nc2ccccc2cc1CC(C)N
InChIInChI=1S/C17H18N2OS/c1-11(18)9-14-10-13-5-3-4-6-15(13)19-17(14)21-16-7-8-20-12(16)2/h3-8,10-11H,9,18H2,1-2H3
InChIKeyJSRNOIMVBUEHDB-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.18
Rot. Bonds4

About 1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine

1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine (PubChem CID 107783659) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine
PubChem CID107783659
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine
SMILESCc1occc1Sc1nc2ccccc2cc1CC(C)N
InChIInChI=1S/C17H18N2OS/c1-11(18)9-14-10-13-5-3-4-6-15(13)19-17(14)21-16-7-8-20-12(16)2/h3-8,10-11H,9,18H2,1-2H3
InChIKeyJSRNOIMVBUEHDB-UHFFFAOYSA-N
XLogP4.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine?
The IUPAC name of 1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine (CID 107783659) is 1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine is Cc1occc1Sc1nc2ccccc2cc1CC(C)N.
What is the InChIKey of 1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine?
The InChIKey is JSRNOIMVBUEHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11(18)9-14-10-13-5-3-4-6-15(13)19-17(14)21-16-7-8-20-12(16)2/h3-8,10-11H,9,18H2,1-2H3.
What are the key properties of 1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine?
1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine has a molecular weight of 298.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine is sourced from PubChem (CID 107783659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).