5-butan-2-yl-3-methyl-2-phenylquinoxaline

C19H20N2 — CID 91110589

IUPAC5-butan-2-yl-3-methyl-2-phenylquinoxaline
SMILESCCC(C)c1cccc2nc(-c3ccccc3)c(C)nc12
InChIInChI=1S/C19H20N2/c1-4-13(2)16-11-8-12-17-19(16)20-14(3)18(21-17)15-9-6-5-7-10-15/h5-13H,4H2,1-3H3
InChIKeyBXUIYCAMDDFBIP-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.12
Rot. Bonds3

About 5-butan-2-yl-3-methyl-2-phenylquinoxaline

5-butan-2-yl-3-methyl-2-phenylquinoxaline (PubChem CID 91110589) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-butan-2-yl-3-methyl-2-phenylquinoxaline.

Molecular Properties

Compound Name5-butan-2-yl-3-methyl-2-phenylquinoxaline
PubChem CID91110589
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name5-butan-2-yl-3-methyl-2-phenylquinoxaline
SMILESCCC(C)c1cccc2nc(-c3ccccc3)c(C)nc12
InChIInChI=1S/C19H20N2/c1-4-13(2)16-11-8-12-17-19(16)20-14(3)18(21-17)15-9-6-5-7-10-15/h5-13H,4H2,1-3H3
InChIKeyBXUIYCAMDDFBIP-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-ylquinoxaline
CID 123654553
1-butan-2-ylphenothiazin-5-ium
CID 89077309
1-butan-2-ylphenothiazin-5-ium iodide
CID 89077308
2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline
CID 158212750
4,5,10,11,16,17-hexakis-phenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene;3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene;3,18,21,28,31,46-hexazaundecacyclo[28.16.0.02,19.04,17.05,10.011,16.020,29.022,27.032,45.033,38.039,44]hexatetraconta-1(46),2,4(17),5,7,9,11,13,15,18,20,22,24,26,28,30,32(45),33,35,37,39,41,43-tricosaene;4,10,16-trimethyl-5,11,17-triphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 160924410
2-chloro-5-methyl-3-phenylquinoxaline
CID 86730310
2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline
CID 89486860
3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol
CID 136657429
2,4-diphenyl-5-propan-2-ylquinazoline
CID 163638008
2-(2-butan-2-ylphenyl)-3-methylpyridine
CID 130282558
7-butan-2-yl-2-propan-2-ylindazole
CID 166090913
2-butan-2-yl-4,6-diphenyl-1,3,5-triazine
CID 23399466

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-methyl-2-phenylquinoxaline?
The IUPAC name of 5-butan-2-yl-3-methyl-2-phenylquinoxaline (CID 91110589) is 5-butan-2-yl-3-methyl-2-phenylquinoxaline.
What is the SMILES notation for 5-butan-2-yl-3-methyl-2-phenylquinoxaline?
The canonical SMILES for 5-butan-2-yl-3-methyl-2-phenylquinoxaline is CCC(C)c1cccc2nc(-c3ccccc3)c(C)nc12.
What is the InChIKey of 5-butan-2-yl-3-methyl-2-phenylquinoxaline?
The InChIKey is BXUIYCAMDDFBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-4-13(2)16-11-8-12-17-19(16)20-14(3)18(21-17)15-9-6-5-7-10-15/h5-13H,4H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-methyl-2-phenylquinoxaline?
5-butan-2-yl-3-methyl-2-phenylquinoxaline has a molecular weight of 276.38 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-methyl-2-phenylquinoxaline is sourced from PubChem (CID 91110589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).