6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline

C16H22N2O — CID 153172613

IUPAC6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline
SMILESCOc1cc2nc(C(C)C)cnc2cc1C(C)(C)C
InChIInChI=1S/C16H22N2O/c1-10(2)14-9-17-12-7-11(16(3,4)5)15(19-6)8-13(12)18-14/h7-10H,1-6H3
InChIKeyWENHDWKACFTHFF-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.06
Rot. Bonds2

About 6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline

6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline (PubChem CID 153172613) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline.

Molecular Properties

Compound Name6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline
PubChem CID153172613
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline
SMILESCOc1cc2nc(C(C)C)cnc2cc1C(C)(C)C
InChIInChI=1S/C16H22N2O/c1-10(2)14-9-17-12-7-11(16(3,4)5)15(19-6)8-13(12)18-14/h7-10H,1-6H3
InChIKeyWENHDWKACFTHFF-UHFFFAOYSA-N
XLogP4.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59135063
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890
4-tert-butyl-2-chloro-5-methoxypyridine
CID 177108888
4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine
CID 126747874
2-tert-butyl-3-methoxy-6-propan-2-ylpyridine
CID 59135220
6-chloro-7-methoxy-3-propan-2-ylquinoline
CID 154591513
7-ethyl-3-propan-2-ylpyrido[3,4-b]pyrazine
CID 70794246
3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418124
6,7-dimethoxy-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62203943
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666
2,3-ditert-butyl-5,6-dimethoxypyridine
CID 155787492
1-tert-butyl-5-chloro-4-fluoro-2-methoxybenzene
CID 177095864

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline?
The IUPAC name of 6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline (CID 153172613) is 6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline.
What is the SMILES notation for 6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline?
The canonical SMILES for 6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline is COc1cc2nc(C(C)C)cnc2cc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline?
The InChIKey is WENHDWKACFTHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10(2)14-9-17-12-7-11(16(3,4)5)15(19-6)8-13(12)18-14/h7-10H,1-6H3.
What are the key properties of 6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline?
6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline has a molecular weight of 258.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-7-methoxy-2-propan-2-ylquinoxaline is sourced from PubChem (CID 153172613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).