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

C16H23NO2 — CID 112561915

IUPACethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1C)CCC(C(C)C)C2
InChIInChI=1S/C16H23NO2/c1-5-19-16(18)14-9-13-8-12(10(2)3)6-7-15(13)17-11(14)4/h9-10,12H,5-8H2,1-4H3
InChIKeyLIQDQTVQBILOQG-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.33
Rot. Bonds3

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

ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 112561915) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID112561915
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1C)CCC(C(C)C)C2
InChIInChI=1S/C16H23NO2/c1-5-19-16(18)14-9-13-8-12(10(2)3)6-7-15(13)17-11(14)4/h9-10,12H,5-8H2,1-4H3
InChIKeyLIQDQTVQBILOQG-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate (CID 112561915) is ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate is CCOC(=O)c1cc2c(nc1C)CCC(C(C)C)C2.
What is the InChIKey of ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is LIQDQTVQBILOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-19-16(18)14-9-13-8-12(10(2)3)6-7-15(13)17-11(14)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 112561915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).