5-(thiophen-3-ylmethoxy)quinolin-8-amine

C14H12N2OS — CID 116524803

IUPAC5-(thiophen-3-ylmethoxy)quinolin-8-amine
SMILESNc1ccc(OCc2ccsc2)c2cccnc12
InChIInChI=1S/C14H12N2OS/c15-12-3-4-13(11-2-1-6-16-14(11)12)17-8-10-5-7-18-9-10/h1-7,9H,8,15H2
InChIKeyREITVDLBAADNSH-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.46
Rot. Bonds3

About 5-(thiophen-3-ylmethoxy)quinolin-8-amine

5-(thiophen-3-ylmethoxy)quinolin-8-amine (PubChem CID 116524803) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(thiophen-3-ylmethoxy)quinolin-8-amine.

Molecular Properties

Compound Name5-(thiophen-3-ylmethoxy)quinolin-8-amine
PubChem CID116524803
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name5-(thiophen-3-ylmethoxy)quinolin-8-amine
SMILESNc1ccc(OCc2ccsc2)c2cccnc12
InChIInChI=1S/C14H12N2OS/c15-12-3-4-13(11-2-1-6-16-14(11)12)17-8-10-5-7-18-9-10/h1-7,9H,8,15H2
InChIKeyREITVDLBAADNSH-UHFFFAOYSA-N
XLogP3.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
3-(thiophen-3-ylmethoxy)pyridin-2-amine
CID 43646070
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine
CID 55173328
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
CID 43449674
5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
CID 116524807
5-(3,3-dimethylbutoxy)quinolin-8-amine
CID 66233789
8-(pyridin-3-ylmethoxy)quinolin-5-amine
CID 60863689
5-propan-2-yloxyquinolin-8-amine
CID 43449641

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-3-ylmethoxy)quinolin-8-amine?
The IUPAC name of 5-(thiophen-3-ylmethoxy)quinolin-8-amine (CID 116524803) is 5-(thiophen-3-ylmethoxy)quinolin-8-amine.
What is the SMILES notation for 5-(thiophen-3-ylmethoxy)quinolin-8-amine?
The canonical SMILES for 5-(thiophen-3-ylmethoxy)quinolin-8-amine is Nc1ccc(OCc2ccsc2)c2cccnc12.
What is the InChIKey of 5-(thiophen-3-ylmethoxy)quinolin-8-amine?
The InChIKey is REITVDLBAADNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-12-3-4-13(11-2-1-6-16-14(11)12)17-8-10-5-7-18-9-10/h1-7,9H,8,15H2.
What are the key properties of 5-(thiophen-3-ylmethoxy)quinolin-8-amine?
5-(thiophen-3-ylmethoxy)quinolin-8-amine has a molecular weight of 256.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-3-ylmethoxy)quinolin-8-amine is sourced from PubChem (CID 116524803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).