6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline

C38H45N5 — CID 158095111

IUPAC6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
SMILESCC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.Cc1cnc2cc(C(C)(C)C)ccc2n1
InChIInChI=1S/C13H16N2.C13H15N.C12H14N2/c1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h5-8H,1-4H3;4-9H,1-3H3;4-8H,1-3H3
InChIKeyFOONCOCOMCDRHX-UHFFFAOYSA-N
MW571.81 g/mol
LogP9.70
Rot. Bonds

About 6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline

6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline (PubChem CID 158095111) has the molecular formula C38H45N5 and a molecular weight of 571.81 g/mol. Its IUPAC name is 6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline.

Molecular Properties

Compound Name6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
PubChem CID158095111
Molecular FormulaC38H45N5
Molecular Weight571.81 g/mol
Exact Mass571.37
IUPAC Name6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
SMILESCC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.Cc1cnc2cc(C(C)(C)C)ccc2n1
InChIInChI=1S/C13H16N2.C13H15N.C12H14N2/c1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h5-8H,1-4H3;4-9H,1-3H3;4-8H,1-3H3
InChIKeyFOONCOCOMCDRHX-UHFFFAOYSA-N
XLogP9.70
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.81
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline with MolForge

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Related Compounds

6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
6-(2-methylsulfonylpropan-2-yl)quinoline
CID 91258076
4-(1-hydroxy-1-quinolin-6-ylethyl)phenol
CID 83076007
6-methylquinoline
CID 7059
1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol
CID 81198431
1-(4-chlorophenyl)-1-quinolin-6-ylethanol
CID 81216254
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
bis(2-methylquinoxaline);hydrate
CID 118096878
ethane;2-methylquinoxaline
CID 90767427
2,7-ditert-butylquinoxaline
CID 134411063
2-methyl-2-quinolin-6-ylpropanehydrazide
CID 66927115

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline?
The IUPAC name of 6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline (CID 158095111) is 6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline.
What is the SMILES notation for 6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline?
The canonical SMILES for 6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline is CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.Cc1cnc2cc(C(C)(C)C)ccc2n1.
What is the InChIKey of 6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline?
The InChIKey is FOONCOCOMCDRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C13H15N.C12H14N2/c1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h5-8H,1-4H3;4-9H,1-3H3;4-8H,1-3H3.
What are the key properties of 6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline?
6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline has a molecular weight of 571.81 g/mol, XLogP of 9.70, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline is sourced from PubChem (CID 158095111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).