N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline

C21H18N4 — CID 2749305

IUPACN-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline
SMILESCC(=NNc1ccccc1)c1nc2c(ccc3ccccc32)nc1C
InChIInChI=1S/C21H18N4/c1-14-20(15(2)24-25-17-9-4-3-5-10-17)23-21-18-11-7-6-8-16(18)12-13-19(21)22-14/h3-13,25H,1-2H3
InChIKeyZPDDRJQHAQAIJQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.93
Rot. Bonds3

About N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline

N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline (PubChem CID 2749305) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline.

Molecular Properties

Compound NameN-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline
PubChem CID2749305
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline
SMILESCC(=NNc1ccccc1)c1nc2c(ccc3ccccc32)nc1C
InChIInChI=1S/C21H18N4/c1-14-20(15(2)24-25-17-9-4-3-5-10-17)23-21-18-11-7-6-8-16(18)12-13-19(21)22-14/h3-13,25H,1-2H3
InChIKeyZPDDRJQHAQAIJQ-UHFFFAOYSA-N
XLogP4.93
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline?
The IUPAC name of N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline (CID 2749305) is N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline.
What is the SMILES notation for N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline?
The canonical SMILES for N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline is CC(=NNc1ccccc1)c1nc2c(ccc3ccccc32)nc1C.
What is the InChIKey of N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline?
The InChIKey is ZPDDRJQHAQAIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-14-20(15(2)24-25-17-9-4-3-5-10-17)23-21-18-11-7-6-8-16(18)12-13-19(21)22-14/h3-13,25H,1-2H3.
What are the key properties of N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline?
N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline has a molecular weight of 326.40 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbenzo[h]quinoxalin-2-yl)ethylideneamino]aniline is sourced from PubChem (CID 2749305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).