N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine

C20H15FN6S — CID 69042932

IUPACN-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESFc1ccc2cc(CCNc3ncnc4nc[nH]c34)c(-c3cccs3)nc2c1
InChIInChI=1S/C20H15FN6S/c21-14-4-3-12-8-13(17(27-15(12)9-14)16-2-1-7-28-16)5-6-22-19-18-20(24-10-23-18)26-11-25-19/h1-4,7-11H,5-6H2,(H2,22,23,24,25,26)
InChIKeyLMTGQJIQXHPYHD-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.42
Rot. Bonds5

About N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine

N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 69042932) has the molecular formula C20H15FN6S and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
PubChem CID69042932
Molecular FormulaC20H15FN6S
Molecular Weight390.45 g/mol
Exact Mass390.11
IUPAC NameN-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESFc1ccc2cc(CCNc3ncnc4nc[nH]c34)c(-c3cccs3)nc2c1
InChIInChI=1S/C20H15FN6S/c21-14-4-3-12-8-13(17(27-15(12)9-14)16-2-1-7-28-16)5-6-22-19-18-20(24-10-23-18)26-11-25-19/h1-4,7-11H,5-6H2,(H2,22,23,24,25,26)
InChIKeyLMTGQJIQXHPYHD-UHFFFAOYSA-N
XLogP4.42
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine (CID 69042932) is N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine is Fc1ccc2cc(CCNc3ncnc4nc[nH]c34)c(-c3cccs3)nc2c1.
What is the InChIKey of N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is LMTGQJIQXHPYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6S/c21-14-4-3-12-8-13(17(27-15(12)9-14)16-2-1-7-28-16)5-6-22-19-18-20(24-10-23-18)26-11-25-19/h1-4,7-11H,5-6H2,(H2,22,23,24,25,26).
What are the key properties of N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 390.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 69042932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).