N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine

C22H17FN6 — CID 53250077

IUPACN-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1ccc2cccnc2c1-c1cccc(F)c1
InChIInChI=1S/C22H17FN6/c1-13(29-22-20-21(26-11-25-20)27-12-28-22)17-8-7-14-5-3-9-24-19(14)18(17)15-4-2-6-16(23)10-15/h2-13H,1H3,(H2,25,26,27,28,29)
InChIKeyQJVIWEDSVLYZMF-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.88
Rot. Bonds4

About N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine

N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine (PubChem CID 53250077) has the molecular formula C22H17FN6 and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine
PubChem CID53250077
Molecular FormulaC22H17FN6
Molecular Weight384.42 g/mol
Exact Mass384.15
IUPAC NameN-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1ccc2cccnc2c1-c1cccc(F)c1
InChIInChI=1S/C22H17FN6/c1-13(29-22-20-21(26-11-25-20)27-12-28-22)17-8-7-14-5-3-9-24-19(14)18(17)15-4-2-6-16(23)10-15/h2-13H,1H3,(H2,25,26,27,28,29)
InChIKeyQJVIWEDSVLYZMF-UHFFFAOYSA-N
XLogP4.88
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine (CID 53250077) is N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1ccc2cccnc2c1-c1cccc(F)c1.
What is the InChIKey of N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The InChIKey is QJVIWEDSVLYZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6/c1-13(29-22-20-21(26-11-25-20)27-12-28-22)17-8-7-14-5-3-9-24-19(14)18(17)15-4-2-6-16(23)10-15/h2-13H,1H3,(H2,25,26,27,28,29).
What are the key properties of N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine has a molecular weight of 384.42 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 53250077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).