N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine

C20H13ClFN7 — CID 25071910

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

About N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine

N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine (PubChem CID 25071910) has the molecular formula C20H13ClFN7 and a molecular weight of 405.82 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine
PubChem CID25071910
Molecular FormulaC20H13ClFN7
Molecular Weight405.82 g/mol
Exact Mass405.09
IUPAC NameN-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine
SMILESFc1cccc2nc(-c3ccccc3Cl)c(CNc3ncnc4nc[nH]c34)nc12
InChIInChI=1S/C20H13ClFN7/c21-12-5-2-1-4-11(12)16-15(29-17-13(22)6-3-7-14(17)28-16)8-23-19-18-20(25-9-24-18)27-10-26-19/h1-7,9-10H,8H2,(H2,23,24,25,26,27)
InChIKeyHJVJYEDGZBBTAV-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

N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine
CID 121486449
N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 69046602
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
6-bromo-7H-purine;[6-chloro-2-(2-chlorophenyl)quinolin-3-yl]methanamine;N-[[6-chloro-2-(2-chlorophenyl)quinolin-3-yl]methyl]-7H-purin-6-amine
CID 160688741
N-[(2-amino-6-chlorophenyl)methyl]-7H-purin-6-amine
CID 69242166
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
(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)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine
CID 121486443
1-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-3-(iodomethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 69089077
N'-amino-2-[8-chloro-3-[(7H-purin-6-ylamino)methyl]quinolin-2-yl]benzenecarboximidamide
CID 145483334
3-(2-chlorophenyl)-5-(dimethylamino)-2-[(7H-purin-6-ylamino)methyl]quinazolin-4-one
CID 20871489

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine (CID 25071910) is N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine is Fc1cccc2nc(-c3ccccc3Cl)c(CNc3ncnc4nc[nH]c34)nc12.
What is the InChIKey of N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine?
The InChIKey is HJVJYEDGZBBTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN7/c21-12-5-2-1-4-11(12)16-15(29-17-13(22)6-3-7-14(17)28-16)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)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine?
N-[[3-(2-chlorophenyl)-8-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)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 25071910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).