2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine

C24H24N4 — CID 3823339

IUPAC2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine
SMILESCc1ccc(Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C24H24N4/c1-15-9-11-19(13-17(15)3)25-23-24(26-20-12-10-16(2)18(4)14-20)28-22-8-6-5-7-21(22)27-23/h5-14H,1-4H3,(H,25,27)(H,26,28)
InChIKeyFNQPOGZJDHTELR-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.35
Rot. Bonds4

About 2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine

2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine (PubChem CID 3823339) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine
PubChem CID3823339
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine
SMILESCc1ccc(Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C24H24N4/c1-15-9-11-19(13-17(15)3)25-23-24(26-20-12-10-16(2)18(4)14-20)28-22-8-6-5-7-21(22)27-23/h5-14H,1-4H3,(H,25,27)(H,26,28)
InChIKeyFNQPOGZJDHTELR-UHFFFAOYSA-N
XLogP6.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine (CID 3823339) is 2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine is Cc1ccc(Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine?
The InChIKey is FNQPOGZJDHTELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-15-9-11-19(13-17(15)3)25-23-24(26-20-12-10-16(2)18(4)14-20)28-22-8-6-5-7-21(22)27-23/h5-14H,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine?
2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine has a molecular weight of 368.48 g/mol, XLogP of 6.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 3823339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).