2-tert-butyl-3-methylbenzo[f]quinoxaline

C17H18N2 — CID 170036564

IUPAC2-tert-butyl-3-methylbenzo[f]quinoxaline
SMILESCc1nc2ccc3ccccc3c2nc1C(C)(C)C
InChIInChI=1S/C17H18N2/c1-11-16(17(2,3)4)19-15-13-8-6-5-7-12(13)9-10-14(15)18-11/h5-10H,1-4H3
InChIKeyOMBAKKOISCZYHM-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.39
Rot. Bonds

About 2-tert-butyl-3-methylbenzo[f]quinoxaline

2-tert-butyl-3-methylbenzo[f]quinoxaline (PubChem CID 170036564) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-tert-butyl-3-methylbenzo[f]quinoxaline.

Molecular Properties

Compound Name2-tert-butyl-3-methylbenzo[f]quinoxaline
PubChem CID170036564
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-tert-butyl-3-methylbenzo[f]quinoxaline
SMILESCc1nc2ccc3ccccc3c2nc1C(C)(C)C
InChIInChI=1S/C17H18N2/c1-11-16(17(2,3)4)19-15-13-8-6-5-7-12(13)9-10-14(15)18-11/h5-10H,1-4H3
InChIKeyOMBAKKOISCZYHM-UHFFFAOYSA-N
XLogP4.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methylbenzo[f]quinoxaline?
The IUPAC name of 2-tert-butyl-3-methylbenzo[f]quinoxaline (CID 170036564) is 2-tert-butyl-3-methylbenzo[f]quinoxaline.
What is the SMILES notation for 2-tert-butyl-3-methylbenzo[f]quinoxaline?
The canonical SMILES for 2-tert-butyl-3-methylbenzo[f]quinoxaline is Cc1nc2ccc3ccccc3c2nc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methylbenzo[f]quinoxaline?
The InChIKey is OMBAKKOISCZYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-11-16(17(2,3)4)19-15-13-8-6-5-7-12(13)9-10-14(15)18-11/h5-10H,1-4H3.
What are the key properties of 2-tert-butyl-3-methylbenzo[f]quinoxaline?
2-tert-butyl-3-methylbenzo[f]quinoxaline has a molecular weight of 250.34 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methylbenzo[f]quinoxaline is sourced from PubChem (CID 170036564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).