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

C17H25NO2 — CID 116533367

IUPACethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1C(C)C)C(CC)CCC2
InChIInChI=1S/C17H25NO2/c1-5-12-8-7-9-13-10-14(17(19)20-6-2)15(11(3)4)18-16(12)13/h10-12H,5-9H2,1-4H3
InChIKeyBECJHUQDJSXMHM-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.21
Rot. Bonds4

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

ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 116533367) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID116533367
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1C(C)C)C(CC)CCC2
InChIInChI=1S/C17H25NO2/c1-5-12-8-7-9-13-10-14(17(19)20-6-2)15(11(3)4)18-16(12)13/h10-12H,5-9H2,1-4H3
InChIKeyBECJHUQDJSXMHM-UHFFFAOYSA-N
XLogP4.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 116532881
ethyl 2-methyl-9-(nitrooxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
CID 21186665
ethyl 6,6-dioxo-2-propan-2-yl-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylate
CID 116533353
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 116533338
ethyl 6-ethyl-2-hydroxycyclohexene-1-carboxylate
CID 54719584
ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 112561915
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372
ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate
CID 71653208
ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate
CID 98041286
ethyl 2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
CID 116533140

Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate (CID 116533367) is ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate is CCOC(=O)c1cc2c(nc1C(C)C)C(CC)CCC2.
What is the InChIKey of ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is BECJHUQDJSXMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-12-8-7-9-13-10-14(17(19)20-6-2)15(11(3)4)18-16(12)13/h10-12H,5-9H2,1-4H3.
What are the key properties of ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 116533367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).