2-tert-butyl-3-phenylquinoxaline

C18H18N2 — CID 621753

IUPAC2-tert-butyl-3-phenylquinoxaline
SMILESCC(C)(C)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C18H18N2/c1-18(2,3)17-16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)20-17/h4-12H,1-3H3
InChIKeyAWMABZQTVZWNCD-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.59
Rot. Bonds1

About 2-tert-butyl-3-phenylquinoxaline

2-tert-butyl-3-phenylquinoxaline (PubChem CID 621753) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-tert-butyl-3-phenylquinoxaline.

Molecular Properties

Compound Name2-tert-butyl-3-phenylquinoxaline
PubChem CID621753
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-tert-butyl-3-phenylquinoxaline
SMILESCC(C)(C)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C18H18N2/c1-18(2,3)17-16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)20-17/h4-12H,1-3H3
InChIKeyAWMABZQTVZWNCD-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-3-(3-isocyanophenyl)quinoxaline
CID 140799273
2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline
CID 142492990
2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine
CID 167353771
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
4,19-ditert-butyl-7,16-diphenyl-8,15,31,34-tetrazaheptacyclo[20.8.4.12,6.117,21.09,14.025,33.028,32]hexatriaconta-1(31),2(36),3,5,7,9,11,13,15,17,19,21(35),22(34),23,25(33),26,28(32),29-octadecaene-35,36-diol
CID 135978071
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6,7-dimethyl-3-phenylquinoxaline
CID 132522555
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
2,3-bis(3-phenylphenyl)quinoxaline
CID 154589163
2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 102124708
4-tert-butyl-5-phenyl-1,3-oxazole
CID 23542020
iridium;3-methyl-2-phenylquinoline
CID 174474394

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-phenylquinoxaline?
The IUPAC name of 2-tert-butyl-3-phenylquinoxaline (CID 621753) is 2-tert-butyl-3-phenylquinoxaline.
What is the SMILES notation for 2-tert-butyl-3-phenylquinoxaline?
The canonical SMILES for 2-tert-butyl-3-phenylquinoxaline is CC(C)(C)c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-tert-butyl-3-phenylquinoxaline?
The InChIKey is AWMABZQTVZWNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-18(2,3)17-16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)20-17/h4-12H,1-3H3.
What are the key properties of 2-tert-butyl-3-phenylquinoxaline?
2-tert-butyl-3-phenylquinoxaline has a molecular weight of 262.36 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-phenylquinoxaline is sourced from PubChem (CID 621753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).