2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline

C22H34N2O — CID 134415024

IUPAC2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline
SMILESCCCCC(C)(CCC)c1ccc2nc(C(C)(C)C)c(OC)nc2c1
InChIInChI=1S/C22H34N2O/c1-8-10-14-22(6,13-9-2)16-11-12-17-18(15-16)24-20(25-7)19(23-17)21(3,4)5/h11-12,15H,8-10,13-14H2,1-7H3
InChIKeyDYWWMWYVMRXMJV-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.18
Rot. Bonds7

About 2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline

2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline (PubChem CID 134415024) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline.

Molecular Properties

Compound Name2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline
PubChem CID134415024
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline
SMILESCCCCC(C)(CCC)c1ccc2nc(C(C)(C)C)c(OC)nc2c1
InChIInChI=1S/C22H34N2O/c1-8-10-14-22(6,13-9-2)16-11-12-17-18(15-16)24-20(25-7)19(23-17)21(3,4)5/h11-12,15H,8-10,13-14H2,1-7H3
InChIKeyDYWWMWYVMRXMJV-UHFFFAOYSA-N
XLogP6.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline
CID 134415262
2,6-ditert-butyl-3-methylquinoxaline
CID 134411062
2,7-ditert-butylphenazine
CID 59610780
2,6-ditert-butyl-3-(trifluoromethyl)quinoxaline
CID 134415080
2-methyl-5-(4-methyloctan-4-yl)pyrimidine
CID 130337188
5-(4-methylheptan-4-yl)-2-(4-methyloctan-4-yl)pyrimidine
CID 123451996
2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146377045
2-fluoro-4-(4-methyldecan-4-yl)pyridine
CID 166909360
1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene
CID 174699471
2-(6-methoxynaphthalen-2-yl)hexan-2-ol
CID 71294239
4-(5-methylundecan-5-yl)pyridine
CID 146178387
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline?
The IUPAC name of 2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline (CID 134415024) is 2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline.
What is the SMILES notation for 2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline?
The canonical SMILES for 2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline is CCCCC(C)(CCC)c1ccc2nc(C(C)(C)C)c(OC)nc2c1.
What is the InChIKey of 2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline?
The InChIKey is DYWWMWYVMRXMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-8-10-14-22(6,13-9-2)16-11-12-17-18(15-16)24-20(25-7)19(23-17)21(3,4)5/h11-12,15H,8-10,13-14H2,1-7H3.
What are the key properties of 2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline?
2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline has a molecular weight of 342.53 g/mol, XLogP of 6.18, 7 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-(4-methyloctan-4-yl)quinoxaline is sourced from PubChem (CID 134415024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).