4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine

C14H12N2OS — CID 107779503

IUPAC4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine
SMILESCc1occc1Sc1ccnc2c(N)cccc12
InChIInChI=1S/C14H12N2OS/c1-9-12(6-8-17-9)18-13-5-7-16-14-10(13)3-2-4-11(14)15/h2-8H,15H2,1H3
InChIKeyNBFFCGQQCQEJSB-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.87
Rot. Bonds2

About 4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine

4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine (PubChem CID 107779503) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine.

Molecular Properties

Compound Name4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine
PubChem CID107779503
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine
SMILESCc1occc1Sc1ccnc2c(N)cccc12
InChIInChI=1S/C14H12N2OS/c1-9-12(6-8-17-9)18-13-5-7-16-14-10(13)3-2-4-11(14)15/h2-8H,15H2,1H3
InChIKeyNBFFCGQQCQEJSB-UHFFFAOYSA-N
XLogP3.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine?
The IUPAC name of 4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine (CID 107779503) is 4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine.
What is the SMILES notation for 4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine?
The canonical SMILES for 4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine is Cc1occc1Sc1ccnc2c(N)cccc12.
What is the InChIKey of 4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine?
The InChIKey is NBFFCGQQCQEJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-12(6-8-17-9)18-13-5-7-16-14-10(13)3-2-4-11(14)15/h2-8H,15H2,1H3.
What are the key properties of 4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine?
4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine has a molecular weight of 256.33 g/mol, XLogP of 3.87, 2 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-8-amine is sourced from PubChem (CID 107779503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).