ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate

C17H25NO2 — CID 116533338

IUPACethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1C(C)C)CC(C)CC2C
InChIInChI=1S/C17H25NO2/c1-6-20-17(19)14-9-13-12(5)7-11(4)8-15(13)18-16(14)10(2)3/h9-12H,6-8H2,1-5H3
InChIKeyHOFYZYCWYCNMCX-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.07
Rot. Bonds3

About ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate

ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 116533338) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID116533338
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1C(C)C)CC(C)CC2C
InChIInChI=1S/C17H25NO2/c1-6-20-17(19)14-9-13-12(5)7-11(4)8-15(13)18-16(14)10(2)3/h9-12H,6-8H2,1-5H3
InChIKeyHOFYZYCWYCNMCX-UHFFFAOYSA-N
XLogP4.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6,6-dioxo-2-propan-2-yl-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylate
CID 116533353
ethyl 5,7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate
CID 64752018
ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 116533367
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
ethyl 5,7-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 114748162
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372
ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate
CID 116533369
ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 112561915
ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate
CID 116533326
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate
CID 119055009
ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate
CID 115917517

Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate (CID 116533338) is ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate is CCOC(=O)c1cc2c(nc1C(C)C)CC(C)CC2C.
What is the InChIKey of ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is HOFYZYCWYCNMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-6-20-17(19)14-9-13-12(5)7-11(4)8-15(13)18-16(14)10(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 116533338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).