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

C22H25FN6 — CID 66632887

IUPACN-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESCCCCCCc1nc2cc(F)ccc2cc1CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C22H25FN6/c1-2-3-4-5-6-18-16(11-15-7-8-17(23)12-19(15)29-18)9-10-24-21-20-22(26-13-25-20)28-14-27-21/h7-8,11-14H,2-6,9-10H2,1H3,(H2,24,25,26,27,28)
InChIKeyUEFWFLMGWAUJKK-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.82
Rot. Bonds9

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

N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 66632887) has the molecular formula C22H25FN6 and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine
PubChem CID66632887
Molecular FormulaC22H25FN6
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC NameN-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESCCCCCCc1nc2cc(F)ccc2cc1CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C22H25FN6/c1-2-3-4-5-6-18-16(11-15-7-8-17(23)12-19(15)29-18)9-10-24-21-20-22(26-13-25-20)28-14-27-21/h7-8,11-14H,2-6,9-10H2,1H3,(H2,24,25,26,27,28)
InChIKeyUEFWFLMGWAUJKK-UHFFFAOYSA-N
XLogP4.82
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 56599717
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
CID 39801917
N-[1-[7-fluoro-2-(5,5,5-trifluoropentyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632769
N-[(1S)-1-[2-[[ethyl(methyl)amino]methyl]-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632635
N-[(1S)-1-[7-fluoro-2-(2-methylbutyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632120
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632442
6-tetradecyl-7H-purine
CID 101215358
N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 87328911
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide
CID 42507459
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine (CID 66632887) is N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine is CCCCCCc1nc2cc(F)ccc2cc1CCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is UEFWFLMGWAUJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6/c1-2-3-4-5-6-18-16(11-15-7-8-17(23)12-19(15)29-18)9-10-24-21-20-22(26-13-25-20)28-14-27-21/h7-8,11-14H,2-6,9-10H2,1H3,(H2,24,25,26,27,28).
What are the key properties of N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine?
N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 392.48 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 66632887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).