[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine

C79H63Cl5N24 — CID 157268049

IUPAC[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine
SMILESCc1cccc2nc(-c3ccccc3Cl)c(CN)nc12.Cc1cccc2nc(-c3ccccc3Cl)c(CNc3ncnc4nc[nH]c34)nc12.Cc1cccc2nc(CN)c(-c3ccccc3Cl)nc12.Cc1cccc2nc(CNc3ncnc4nc[nH]c34)c(-c3ccccc3Cl)nc12.Clc1ncnc2nc[nH]c12
InChIInChI=1S/2C21H16ClN7.2C16H14ClN3.C5H3ClN4/c1-12-5-4-8-15-17(12)29-16(18(28-15)13-6-2-3-7-14(13)22)9-23-20-19-21(25-10-24-19)27-11-26-20;1-12-5-4-8-15-17(12)29-18(13-6-2-3-7-14(13)22)16(28-15)9-23-20-19-21(25-10-24-19)27-11-26-20;1-10-5-4-8-13-15(10)20-14(9-18)16(19-13)11-6-2-3-7-12(11)17;1-10-5-4-8-13-15(10)20-16(14(9-18)19-13)11-6-2-3-7-12(11)17;6-4-3-5(9-1-7-3)10-2-8-4/h2*2-8,10-11H,9H2,1H3,(H2,23,24,25,26,27);2*2-8H,9,18H2,1H3;1-2H,(H,7,8,9,10)
InChIKeyAYFIVKVZOXTMID-UHFFFAOYSA-N
MW1525.81 g/mol
LogP17.51
Rot. Bonds12

About [3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine

[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine (PubChem CID 157268049) has the molecular formula C79H63Cl5N24 and a molecular weight of 1525.81 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine
PubChem CID157268049
Molecular FormulaC79H63Cl5N24
Molecular Weight1525.81 g/mol
Exact Mass1522.41
IUPAC Name[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine
SMILESCc1cccc2nc(-c3ccccc3Cl)c(CN)nc12.Cc1cccc2nc(-c3ccccc3Cl)c(CNc3ncnc4nc[nH]c34)nc12.Cc1cccc2nc(CN)c(-c3ccccc3Cl)nc12.Cc1cccc2nc(CNc3ncnc4nc[nH]c34)c(-c3ccccc3Cl)nc12.Clc1ncnc2nc[nH]c12
InChIInChI=1S/2C21H16ClN7.2C16H14ClN3.C5H3ClN4/c1-12-5-4-8-15-17(12)29-16(18(28-15)13-6-2-3-7-14(13)22)9-23-20-19-21(25-10-24-19)27-11-26-20;1-12-5-4-8-15-17(12)29-18(13-6-2-3-7-14(13)22)16(28-15)9-23-20-19-21(25-10-24-19)27-11-26-20;1-10-5-4-8-13-15(10)20-14(9-18)16(19-13)11-6-2-3-7-12(11)17;1-10-5-4-8-13-15(10)20-16(14(9-18)19-13)11-6-2-3-7-12(11)17;6-4-3-5(9-1-7-3)10-2-8-4/h2*2-8,10-11H,9H2,1H3,(H2,23,24,25,26,27);2*2-8H,9,18H2,1H3;1-2H,(H,7,8,9,10)
InChIKeyAYFIVKVZOXTMID-UHFFFAOYSA-N
XLogP17.51
TPSA342.60 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001525.81
LogP ≤ 517.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze [3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine?
The IUPAC name of [3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine (CID 157268049) is [3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine?
The canonical SMILES for [3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine is Cc1cccc2nc(-c3ccccc3Cl)c(CN)nc12.Cc1cccc2nc(-c3ccccc3Cl)c(CNc3ncnc4nc[nH]c34)nc12.Cc1cccc2nc(CN)c(-c3ccccc3Cl)nc12.Cc1cccc2nc(CNc3ncnc4nc[nH]c34)c(-c3ccccc3Cl)nc12.Clc1ncnc2nc[nH]c12.
What is the InChIKey of [3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine?
The InChIKey is AYFIVKVZOXTMID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16ClN7.2C16H14ClN3.C5H3ClN4/c1-12-5-4-8-15-17(12)29-16(18(28-15)13-6-2-3-7-14(13)22)9-23-20-19-21(25-10-24-19)27-11-26-20;1-12-5-4-8-15-17(12)29-18(13-6-2-3-7-14(13)22)16(28-15)9-23-20-19-21(25-10-24-19)27-11-26-20;1-10-5-4-8-13-15(10)20-14(9-18)16(19-13)11-6-2-3-7-12(11)17;1-10-5-4-8-13-15(10)20-16(14(9-18)19-13)11-6-2-3-7-12(11)17;6-4-3-5(9-1-7-3)10-2-8-4/h2*2-8,10-11H,9H2,1H3,(H2,23,24,25,26,27);2*2-8H,9,18H2,1H3;1-2H,(H,7,8,9,10).
What are the key properties of [3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine?
[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine has a molecular weight of 1525.81 g/mol, XLogP of 17.51, 12 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methanamine;[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methanamine;N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;N-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-7H-purin-6-amine;6-chloro-7H-purine is sourced from PubChem (CID 157268049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).