2-tert-butylbenzo[f]quinoxaline

C16H16N2 — CID 164810163

IUPAC2-tert-butylbenzo[f]quinoxaline
SMILESCC(C)(C)c1cnc2ccc3ccccc3c2n1
InChIInChI=1S/C16H16N2/c1-16(2,3)14-10-17-13-9-8-11-6-4-5-7-12(11)15(13)18-14/h4-10H,1-3H3
InChIKeyLKJFRQBHTQSSNF-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.08
Rot. Bonds

About 2-tert-butylbenzo[f]quinoxaline

2-tert-butylbenzo[f]quinoxaline (PubChem CID 164810163) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-tert-butylbenzo[f]quinoxaline.

Molecular Properties

Compound Name2-tert-butylbenzo[f]quinoxaline
PubChem CID164810163
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-tert-butylbenzo[f]quinoxaline
SMILESCC(C)(C)c1cnc2ccc3ccccc3c2n1
InChIInChI=1S/C16H16N2/c1-16(2,3)14-10-17-13-9-8-11-6-4-5-7-12(11)15(13)18-14/h4-10H,1-3H3
InChIKeyLKJFRQBHTQSSNF-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.08
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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Related Compounds

2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184
2-tert-butyl-3-methylbenzo[f]quinoxaline
CID 170036564
2-(4-phenylphenyl)benzo[f]quinoxaline
CID 164807898
2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline
CID 158138493
2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline
CID 158149711
2-tert-butylquinoline;methane
CID 164995315
2-tert-butylphenanthro[9,10-b]pyridine
CID 90180532
2,7-ditert-butylquinoxaline
CID 134411063
2-tert-butyl-6-methylquinoxaline;propane
CID 142320460
2-methylbenzo[h]quinazoline
CID 15811350
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbenzo[f]quinoxaline?
The IUPAC name of 2-tert-butylbenzo[f]quinoxaline (CID 164810163) is 2-tert-butylbenzo[f]quinoxaline.
What is the SMILES notation for 2-tert-butylbenzo[f]quinoxaline?
The canonical SMILES for 2-tert-butylbenzo[f]quinoxaline is CC(C)(C)c1cnc2ccc3ccccc3c2n1.
What is the InChIKey of 2-tert-butylbenzo[f]quinoxaline?
The InChIKey is LKJFRQBHTQSSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-16(2,3)14-10-17-13-9-8-11-6-4-5-7-12(11)15(13)18-14/h4-10H,1-3H3.
What are the key properties of 2-tert-butylbenzo[f]quinoxaline?
2-tert-butylbenzo[f]quinoxaline has a molecular weight of 236.32 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylbenzo[f]quinoxaline is sourced from PubChem (CID 164810163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).