N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine

C22H16ClFN6 — CID 69046602

IUPACN-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
SMILESFc1ccccc1-c1nc2c(Cl)cccc2cc1CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C22H16ClFN6/c23-16-6-3-4-13-10-14(18(30-19(13)16)15-5-1-2-7-17(15)24)8-9-25-21-20-22(27-11-26-20)29-12-28-21/h1-7,10-12H,8-9H2,(H2,25,26,27,28,29)
InChIKeyNZFYOWZECCGKAZ-UHFFFAOYSA-N
MW418.86 g/mol
LogP5.02
Rot. Bonds5

About N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine

N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine (PubChem CID 69046602) has the molecular formula C22H16ClFN6 and a molecular weight of 418.86 g/mol. Its IUPAC name is N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
PubChem CID69046602
Molecular FormulaC22H16ClFN6
Molecular Weight418.86 g/mol
Exact Mass418.11
IUPAC NameN-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
SMILESFc1ccccc1-c1nc2c(Cl)cccc2cc1CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C22H16ClFN6/c23-16-6-3-4-13-10-14(18(30-19(13)16)15-5-1-2-7-17(15)24)8-9-25-21-20-22(27-11-26-20)29-12-28-21/h1-7,10-12H,8-9H2,(H2,25,26,27,28,29)
InChIKeyNZFYOWZECCGKAZ-UHFFFAOYSA-N
XLogP5.02
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.86
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 69043949
N-[2-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 69041410
N'-amino-2-[8-chloro-3-[(7H-purin-6-ylamino)methyl]quinolin-2-yl]benzenecarboximidamide
CID 145483334
(8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine
CID 159074469
N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine
CID 25071910
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine
CID 141225548
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;dihydrochloride
CID 141225547
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
2-(2-chloro-5-fluorophenyl)-3-ethyl-8-fluoroquinoline;7H-purin-6-amine
CID 145483303
N-[2-[4-chloro-1-(3-fluorophenyl)indol-2-yl]ethyl]-7H-purin-6-amine
CID 123513783
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
5-chloro-2-(3-fluorophenyl)-6-methyl-3-[2-(7H-purin-6-ylamino)ethyl]benzonitrile
CID 88540381

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine (CID 69046602) is N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine is Fc1ccccc1-c1nc2c(Cl)cccc2cc1CCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The InChIKey is NZFYOWZECCGKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN6/c23-16-6-3-4-13-10-14(18(30-19(13)16)15-5-1-2-7-17(15)24)8-9-25-21-20-22(27-11-26-20)29-12-28-21/h1-7,10-12H,8-9H2,(H2,25,26,27,28,29).
What are the key properties of N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine has a molecular weight of 418.86 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 69046602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).