tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate

C19H28N2O2 — CID 143018815

IUPACtert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate
SMILESCC(C)C1CN(C2CC2)c2ccc(C(=O)OC(C)(C)C)cc2N1
InChIInChI=1S/C19H28N2O2/c1-12(2)16-11-21(14-7-8-14)17-9-6-13(10-15(17)20-16)18(22)23-19(3,4)5/h6,9-10,12,14,16,20H,7-8,11H2,1-5H3
InChIKeyGQZYOUFJDZTOMH-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.06
Rot. Bonds3

About tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate

tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate (PubChem CID 143018815) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate
PubChem CID143018815
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate
SMILESCC(C)C1CN(C2CC2)c2ccc(C(=O)OC(C)(C)C)cc2N1
InChIInChI=1S/C19H28N2O2/c1-12(2)16-11-21(14-7-8-14)17-9-6-13(10-15(17)20-16)18(22)23-19(3,4)5/h6,9-10,12,14,16,20H,7-8,11H2,1-5H3
InChIKeyGQZYOUFJDZTOMH-UHFFFAOYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-chloroacetyl)-1-cyclopropyl-3-propan-2-yl-2,3-dihydroquinoxaline-6-carboxylate
CID 143018801
methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate
CID 143018821
tert-butyl 1-cyclopropyl-4-[2-[[(2S)-3-methylbutan-2-yl]amino]acetyl]-2-oxo-3H-quinoxaline-6-carboxylate
CID 58748660
tert-butyl 2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazole-5-carboxylate
CID 165487424
6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalene-2-carboxylic acid
CID 23021695
ditert-butyl 2-methylbenzene-1,4-dicarboxylate
CID 175662987
tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate
CID 58748607
tert-butyl 4-[2-(cyclopentylamino)acetyl]-1-cyclopropyl-2-oxo-3H-quinoxaline-6-carboxylate
CID 58748605
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl (3S)-3,5-dimethyl-2-oxo-1,3-dihydro-1,4-benzodiazepine-8-carboxylate
CID 137028459
tert-butyl 3-amino-4-morpholin-4-ylbenzoate
CID 118548695
[6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid
CID 133059658

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate?
The IUPAC name of tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate (CID 143018815) is tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate.
What is the SMILES notation for tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate?
The canonical SMILES for tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate is CC(C)C1CN(C2CC2)c2ccc(C(=O)OC(C)(C)C)cc2N1.
What is the InChIKey of tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate?
The InChIKey is GQZYOUFJDZTOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-12(2)16-11-21(14-7-8-14)17-9-6-13(10-15(17)20-16)18(22)23-19(3,4)5/h6,9-10,12,14,16,20H,7-8,11H2,1-5H3.
What are the key properties of tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate?
tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate has a molecular weight of 316.45 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-cyclopropyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carboxylate is sourced from PubChem (CID 143018815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).