2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline

C15H19ClN2 — CID 147188086

IUPAC2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline
SMILESCC(C)c1ccc2nc(C(C)(C)C)c(Cl)nc2c1
InChIInChI=1S/C15H19ClN2/c1-9(2)10-6-7-11-12(8-10)18-14(16)13(17-11)15(3,4)5/h6-9H,1-5H3
InChIKeyCAWWTPZEJAEASZ-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.70
Rot. Bonds1

About 2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline

2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline (PubChem CID 147188086) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline.

Molecular Properties

Compound Name2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline
PubChem CID147188086
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline
SMILESCC(C)c1ccc2nc(C(C)(C)C)c(Cl)nc2c1
InChIInChI=1S/C15H19ClN2/c1-9(2)10-6-7-11-12(8-10)18-14(16)13(17-11)15(3,4)5/h6-9H,1-5H3
InChIKeyCAWWTPZEJAEASZ-UHFFFAOYSA-N
XLogP4.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline?
The IUPAC name of 2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline (CID 147188086) is 2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline.
What is the SMILES notation for 2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline?
The canonical SMILES for 2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline is CC(C)c1ccc2nc(C(C)(C)C)c(Cl)nc2c1.
What is the InChIKey of 2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline?
The InChIKey is CAWWTPZEJAEASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-9(2)10-6-7-11-12(8-10)18-14(16)13(17-11)15(3,4)5/h6-9H,1-5H3.
What are the key properties of 2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline?
2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline has a molecular weight of 262.78 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline is sourced from PubChem (CID 147188086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).