2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline

C18H26N2O — CID 146959501

IUPAC2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline
SMILESCOc1nc2cc([C@H](C)C(C)C)ccc2nc1C(C)(C)C
InChIInChI=1S/C18H26N2O/c1-11(2)12(3)13-8-9-14-15(10-13)20-17(21-7)16(19-14)18(4,5)6/h8-12H,1-7H3/t12-/m1/s1
InChIKeyAKHOQPKJJRZTMP-GFCCVEGCSA-N
MW286.42 g/mol
LogP4.70
Rot. Bonds3

About 2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline

2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline (PubChem CID 146959501) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline.

Molecular Properties

Compound Name2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline
PubChem CID146959501
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline
SMILESCOc1nc2cc([C@H](C)C(C)C)ccc2nc1C(C)(C)C
InChIInChI=1S/C18H26N2O/c1-11(2)12(3)13-8-9-14-15(10-13)20-17(21-7)16(19-14)18(4,5)6/h8-12H,1-7H3/t12-/m1/s1
InChIKeyAKHOQPKJJRZTMP-GFCCVEGCSA-N
XLogP4.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline?
The IUPAC name of 2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline (CID 146959501) is 2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline.
What is the SMILES notation for 2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline?
The canonical SMILES for 2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline is COc1nc2cc([C@H](C)C(C)C)ccc2nc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline?
The InChIKey is AKHOQPKJJRZTMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H26N2O/c1-11(2)12(3)13-8-9-14-15(10-13)20-17(21-7)16(19-14)18(4,5)6/h8-12H,1-7H3/t12-/m1/s1.
What are the key properties of 2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline?
2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline has a molecular weight of 286.42 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methoxy-6-[(2R)-3-methylbutan-2-yl]quinoxaline is sourced from PubChem (CID 146959501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).