N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine

C20H13ClFN7 — CID 25071296

IUPACN-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine
SMILESFc1cccc2nc(CNc3ncnc4nc[nH]c34)c(-c3ccccc3Cl)nc12
InChIInChI=1S/C20H13ClFN7/c21-12-5-2-1-4-11(12)16-15(28-14-7-3-6-13(22)17(14)29-16)8-23-19-18-20(25-9-24-18)27-10-26-19/h1-7,9-10H,8H2,(H2,23,24,25,26,27)
InChIKeyXCKNTUBMGCUDRB-UHFFFAOYSA-N
MW405.82 g/mol
LogP4.37
Rot. Bonds4

About N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine

N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine (PubChem CID 25071296) has the molecular formula C20H13ClFN7 and a molecular weight of 405.82 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine
PubChem CID25071296
Molecular FormulaC20H13ClFN7
Molecular Weight405.82 g/mol
Exact Mass405.09
IUPAC NameN-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine
SMILESFc1cccc2nc(CNc3ncnc4nc[nH]c34)c(-c3ccccc3Cl)nc12
InChIInChI=1S/C20H13ClFN7/c21-12-5-2-1-4-11(12)16-15(28-14-7-3-6-13(22)17(14)29-16)8-23-19-18-20(25-9-24-18)27-10-26-19/h1-7,9-10H,8H2,(H2,23,24,25,26,27)
InChIKeyXCKNTUBMGCUDRB-UHFFFAOYSA-N
XLogP4.37
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.82
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
SD-208
CID 10316032
6-(4-(4-(4-chlorophenyl)piperidin-4-yl)phenyl)-9H-purine
CID 16122633
2-(6-chloropyridin-3-yl)-1H-1,3-benzodiazole
CID 1488390
6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792
Aloisine B
CID 6538793
7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538794
2-(4-chlorophenyl)-3H-imidazo[4,5-c]quinoline
CID 10540663
4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyridine
CID 11011717
2-(4-chlorophenyl)-6-phenyl-9H-purine
CID 11529627
2,6-bis(4-chlorophenyl)-9H-purine
CID 11660141
7-(4-{[4-(6-fluoro-1H-1,3-benzodiazol-2-yl)piperidin-1-yl]methyl}phenyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 11670972

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine (CID 25071296) is N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine is Fc1cccc2nc(CNc3ncnc4nc[nH]c34)c(-c3ccccc3Cl)nc12.
What is the InChIKey of N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine?
The InChIKey is XCKNTUBMGCUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN7/c21-12-5-2-1-4-11(12)16-15(28-14-7-3-6-13(22)17(14)29-16)8-23-19-18-20(25-9-24-18)27-10-26-19/h1-7,9-10H,8H2,(H2,23,24,25,26,27).
What are the key properties of N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine?
N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine has a molecular weight of 405.82 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 25071296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).