(3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium

C24H25N4+ — CID 140806342

IUPAC(3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium
SMILESCCc1ccc(CC)c2nc([NH2+]c3ccccc3)c(Nc3ccccc3)nc12
InChIInChI=1S/C24H24N4/c1-3-17-15-16-18(4-2)22-21(17)27-23(25-19-11-7-5-8-12-19)24(28-22)26-20-13-9-6-10-14-20/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)/p+1
InChIKeyTWZOQDCFZZHCQQ-UHFFFAOYSA-O
MW369.49 g/mol
LogP5.02
Rot. Bonds6

About (3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium

(3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium (PubChem CID 140806342) has the molecular formula C24H25N4+ and a molecular weight of 369.49 g/mol. Its IUPAC name is (3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium.

Molecular Properties

Compound Name(3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium
PubChem CID140806342
Molecular FormulaC24H25N4+
Molecular Weight369.49 g/mol
Exact Mass369.21
IUPAC Name(3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium
SMILESCCc1ccc(CC)c2nc([NH2+]c3ccccc3)c(Nc3ccccc3)nc12
InChIInChI=1S/C24H24N4/c1-3-17-15-16-18(4-2)22-21(17)27-23(25-19-11-7-5-8-12-19)24(28-22)26-20-13-9-6-10-14-20/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)/p+1
InChIKeyTWZOQDCFZZHCQQ-UHFFFAOYSA-O
XLogP5.02
TPSA54.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium?
The IUPAC name of (3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium (CID 140806342) is (3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium.
What is the SMILES notation for (3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium?
The canonical SMILES for (3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium is CCc1ccc(CC)c2nc([NH2+]c3ccccc3)c(Nc3ccccc3)nc12.
What is the InChIKey of (3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium?
The InChIKey is TWZOQDCFZZHCQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24N4/c1-3-17-15-16-18(4-2)22-21(17)27-23(25-19-11-7-5-8-12-19)24(28-22)26-20-13-9-6-10-14-20/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)/p+1.
What are the key properties of (3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium?
(3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium has a molecular weight of 369.49 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilino-5,8-diethylquinoxalin-2-yl)-phenylazanium is sourced from PubChem (CID 140806342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).