5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline

C13H19ClN2 — CID 147541141

IUPAC5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNc2c(Cl)ccc(C(C)(C)C)c21
InChIInChI=1S/C13H19ClN2/c1-13(2,3)9-5-6-10(14)11-12(9)16(4)8-7-15-11/h5-6,15H,7-8H2,1-4H3
InChIKeyFOXXNZJQMWXODQ-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.50
Rot. Bonds

About 5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline

5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 147541141) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID147541141
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNc2c(Cl)ccc(C(C)(C)C)c21
InChIInChI=1S/C13H19ClN2/c1-13(2,3)9-5-6-10(14)11-12(9)16(4)8-7-15-11/h5-6,15H,7-8H2,1-4H3
InChIKeyFOXXNZJQMWXODQ-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3,4-dihydro-2H-quinoxalin-5-ol
CID 115094785
4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
CID 164933869
8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
CID 83839922
3-tert-butyl-2,6-dichlorophenol
CID 130033487
8-chloro-1-methyl-3,4-dihydro-2H-quinoxaline-6-carbaldehyde
CID 134292285
5-chloro-4-methyl-7-(1-methylcyclohexyl)-2,3-dihydro-1H-quinoxaline
CID 134292206
1-tert-butyl-2,3,4-trichlorobenzene;propan-2-one
CID 174450533
6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline
CID 58331978
6,9-dichloro-2,2-dimethyl-4,5-dihydro-3H-1,5-benzoxazepine
CID 104523654
3-(6-tert-butyl-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)propanoic acid
CID 84642307
7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline
CID 142827705
7-tert-butyl-5-methyl-2,3-dihydro-1H-indole
CID 75480955

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline (CID 147541141) is 5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline is CN1CCNc2c(Cl)ccc(C(C)(C)C)c21.
What is the InChIKey of 5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is FOXXNZJQMWXODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-13(2,3)9-5-6-10(14)11-12(9)16(4)8-7-15-11/h5-6,15H,7-8H2,1-4H3.
What are the key properties of 5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline?
5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 238.76 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 147541141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).