tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate

C14H19ClN2O2 — CID 84643049

IUPACtert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
SMILESCc1cc(Cl)c2c(c1)N(C(=O)OC(C)(C)C)CCN2
InChIInChI=1S/C14H19ClN2O2/c1-9-7-10(15)12-11(8-9)17(6-5-16-12)13(18)19-14(2,3)4/h7-8,16H,5-6H2,1-4H3
InChIKeyHDZZBPYWIJPGJW-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.82
Rot. Bonds

About tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate

tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate (PubChem CID 84643049) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
PubChem CID84643049
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Nametert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
SMILESCc1cc(Cl)c2c(c1)N(C(=O)OC(C)(C)C)CCN2
InChIInChI=1S/C14H19ClN2O2/c1-9-7-10(15)12-11(8-9)17(6-5-16-12)13(18)19-14(2,3)4/h7-8,16H,5-6H2,1-4H3
InChIKeyHDZZBPYWIJPGJW-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.82
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 7-bromo-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84645479
tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84643816
tert-butyl 7-iodo-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 133062628
tert-butyl 4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylate
CID 69059696
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
tert-butyl 8-bromo-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 83773515
tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine
CID 158092707
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 4-(4,5-dichloro-2-formylphenyl)piperazine-1-carboxylate
CID 162434268
5-bromo-2,3-dihydro-1H-indole;tert-butyl 5-bromo-2,3-dihydroindole-1-carboxylate
CID 158223864
tert-butyl 4-[2-(2-chloro-4-methylphenyl)sulfanylphenyl]piperazine-1-carboxylate
CID 53239043

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
The IUPAC name of tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate (CID 84643049) is tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate.
What is the SMILES notation for tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
The canonical SMILES for tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate is Cc1cc(Cl)c2c(c1)N(C(=O)OC(C)(C)C)CCN2.
What is the InChIKey of tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
The InChIKey is HDZZBPYWIJPGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-7-10(15)12-11(8-9)17(6-5-16-12)13(18)19-14(2,3)4/h7-8,16H,5-6H2,1-4H3.
What are the key properties of tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate has a molecular weight of 282.77 g/mol, XLogP of 3.82, 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-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate is sourced from PubChem (CID 84643049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).