4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine

C20H21N5 — CID 59956406

IUPAC4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine
SMILESCc1cccc(C)c1Nc1nc2ccc(N(C)C)cc2n2cncc12
InChIInChI=1S/C20H21N5/c1-13-6-5-7-14(2)19(13)23-20-18-11-21-12-25(18)17-10-15(24(3)4)8-9-16(17)22-20/h5-12H,1-4H3,(H,22,23)
InChIKeyHDBOHBYTPIIFEP-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.31
Rot. Bonds3

About 4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine

4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine (PubChem CID 59956406) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine.

Molecular Properties

Compound Name4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine
PubChem CID59956406
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine
SMILESCc1cccc(C)c1Nc1nc2ccc(N(C)C)cc2n2cncc12
InChIInChI=1S/C20H21N5/c1-13-6-5-7-14(2)19(13)23-20-18-11-21-12-25(18)17-10-15(24(3)4)8-9-16(17)22-20/h5-12H,1-4H3,(H,22,23)
InChIKeyHDBOHBYTPIIFEP-UHFFFAOYSA-N
XLogP4.31
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine?
The IUPAC name of 4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine (CID 59956406) is 4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine.
What is the SMILES notation for 4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine?
The canonical SMILES for 4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine is Cc1cccc(C)c1Nc1nc2ccc(N(C)C)cc2n2cncc12.
What is the InChIKey of 4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine?
The InChIKey is HDBOHBYTPIIFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-13-6-5-7-14(2)19(13)23-20-18-11-21-12-25(18)17-10-15(24(3)4)8-9-16(17)22-20/h5-12H,1-4H3,(H,22,23).
What are the key properties of 4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine?
4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine has a molecular weight of 331.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine is sourced from PubChem (CID 59956406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).