N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine

C20H15ClFN7 — CID 121486449

IUPACN-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine
SMILESFc1cccc2nc(CNc3ncnc4c3NCN4)c(-c3ccccc3Cl)nc12
InChIInChI=1S/C20H15ClFN7/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/h1-7,10,24H,8-9H2,(H2,23,25,26,27)
InChIKeyAWBHKZNGWAIADN-UHFFFAOYSA-N
MW407.84 g/mol
LogP4.29
Rot. Bonds4

About N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine

N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine (PubChem CID 121486449) has the molecular formula C20H15ClFN7 and a molecular weight of 407.84 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine
PubChem CID121486449
Molecular FormulaC20H15ClFN7
Molecular Weight407.84 g/mol
Exact Mass407.11
IUPAC NameN-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine
SMILESFc1cccc2nc(CNc3ncnc4c3NCN4)c(-c3ccccc3Cl)nc12
InChIInChI=1S/C20H15ClFN7/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/h1-7,10,24H,8-9H2,(H2,23,25,26,27)
InChIKeyAWBHKZNGWAIADN-UHFFFAOYSA-N
XLogP4.29
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.84
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine
CID 121486443
N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine
CID 25071910
1-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
CID 25096288
1-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-3-(iodomethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 69089077
N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 69046602
5-chloro-3-(2-chlorophenyl)-N-methylquinoxalin-2-amine
CID 174610026
N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine
CID 133411151
N-(2-chlorophenyl)-8-fluoroquinazolin-4-amine
CID 110434661
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine
CID 141225548
6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152879
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;dihydrochloride
CID 141225547
1-(2-chlorophenyl)phenazine
CID 175026808

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine?
The IUPAC name of N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine (CID 121486449) is N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine?
The canonical SMILES for N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine is Fc1cccc2nc(CNc3ncnc4c3NCN4)c(-c3ccccc3Cl)nc12.
What is the InChIKey of N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine?
The InChIKey is AWBHKZNGWAIADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN7/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/h1-7,10,24H,8-9H2,(H2,23,25,26,27).
What are the key properties of N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine?
N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine has a molecular weight of 407.84 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine is sourced from PubChem (CID 121486449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).