4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine

C22H25ClN6O — CID 10365064

IUPAC4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine
SMILESCOc1cc2c(cc1NCCN(C)C)nc(Nc1c(C)cccc1Cl)c1cncn12
InChIInChI=1S/C22H25ClN6O/c1-14-6-5-7-15(23)21(14)27-22-19-12-24-13-29(19)18-11-20(30-4)17(10-16(18)26-22)25-8-9-28(2)3/h5-7,10-13,25H,8-9H2,1-4H3,(H,26,27)
InChIKeyXZWDOPOZRGQDBO-UHFFFAOYSA-N
MW424.94 g/mol
LogP4.57
Rot. Bonds7

About 4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine

4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine (PubChem CID 10365064) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is 4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine
PubChem CID10365064
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC Name4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine
SMILESCOc1cc2c(cc1NCCN(C)C)nc(Nc1c(C)cccc1Cl)c1cncn12
InChIInChI=1S/C22H25ClN6O/c1-14-6-5-7-15(23)21(14)27-22-19-12-24-13-29(19)18-11-20(30-4)17(10-16(18)26-22)25-8-9-28(2)3/h5-7,10-13,25H,8-9H2,1-4H3,(H,26,27)
InChIKeyXZWDOPOZRGQDBO-UHFFFAOYSA-N
XLogP4.57
TPSA66.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine?
The IUPAC name of 4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine (CID 10365064) is 4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine.
What is the SMILES notation for 4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine?
The canonical SMILES for 4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine is COc1cc2c(cc1NCCN(C)C)nc(Nc1c(C)cccc1Cl)c1cncn12.
What is the InChIKey of 4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine?
The InChIKey is XZWDOPOZRGQDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-14-6-5-7-15(23)21(14)27-22-19-12-24-13-29(19)18-11-20(30-4)17(10-16(18)26-22)25-8-9-28(2)3/h5-7,10-13,25H,8-9H2,1-4H3,(H,26,27).
What are the key properties of 4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine?
4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine has a molecular weight of 424.94 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-6-methylphenyl)-7-N-[2-(dimethylamino)ethyl]-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine is sourced from PubChem (CID 10365064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).