tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate

C15H21ClN2O2 — CID 84644336

IUPACtert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2cccc(Cl)c2NCC1(C)C
InChIInChI=1S/C15H21ClN2O2/c1-14(2,3)20-13(19)18-11-8-6-7-10(16)12(11)17-9-15(18,4)5/h6-8,17H,9H2,1-5H3
InChIKeyLXTOPVLCYFXRAF-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.29
Rot. Bonds

About tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate

tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate (PubChem CID 84644336) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate
PubChem CID84644336
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Nametert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2cccc(Cl)c2NCC1(C)C
InChIInChI=1S/C15H21ClN2O2/c1-14(2,3)20-13(19)18-11-8-6-7-10(16)12(11)17-9-15(18,4)5/h6-8,17H,9H2,1-5H3
InChIKeyLXTOPVLCYFXRAF-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84633187
tert-butyl 4-[2-(aminomethyl)-3-chlorophenyl]piperazine-1-carboxylate
CID 104933388
tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 138594237
tert-butyl 1,4-diazepane-1-carboxylate;3-chloro-2-fluorobenzaldehyde
CID 159413930
1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
CID 84634803
tert-butyl 3-(7-chloro-1H-indol-3-yl)-3-hydroxyazetidine-1-carboxylate
CID 168941620
tert-butyl 2-methyl-2-(2-oxoethyl)-3H-indole-1-carboxylate;carbon dioxide
CID 158181918
tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84643049
tert-butyl 4-(2-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 67112342
tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate
CID 84645694
tert-butyl 3-[[4-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1-oxo-2,3-dihydroisoquinolin-6-yl]amino]azetidine-1-carboxylate
CID 171524578
tert-butyl 2-hydroperoxy-2-methyl-3-methylideneindole-1-carboxylate
CID 10356140

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate?
The IUPAC name of tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate (CID 84644336) is tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate is CC(C)(C)OC(=O)N1c2cccc(Cl)c2NCC1(C)C.
What is the InChIKey of tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate?
The InChIKey is LXTOPVLCYFXRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-14(2,3)20-13(19)18-11-8-6-7-10(16)12(11)17-9-15(18,4)5/h6-8,17H,9H2,1-5H3.
What are the key properties of tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate?
tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate has a molecular weight of 296.80 g/mol, XLogP of 4.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-chloro-2,2-dimethyl-3,4-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 84644336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).