2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid

C12H15NO2 — CID 82396272

IUPAC2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(n1)CCCC2
InChIInChI=1S/C12H15NO2/c1-2-8-7-10(12(14)15)9-5-3-4-6-11(9)13-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyRGNULSBLJCVUTL-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.22
Rot. Bonds2

About 2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid

2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid (PubChem CID 82396272) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
PubChem CID82396272
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(n1)CCCC2
InChIInChI=1S/C12H15NO2/c1-2-8-7-10(12(14)15)9-5-3-4-6-11(9)13-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyRGNULSBLJCVUTL-UHFFFAOYSA-N
XLogP2.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
The IUPAC name of 2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid (CID 82396272) is 2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
The canonical SMILES for 2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid is CCc1cc(C(=O)O)c2c(n1)CCCC2.
What is the InChIKey of 2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
The InChIKey is RGNULSBLJCVUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-8-7-10(12(14)15)9-5-3-4-6-11(9)13-8/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid is sourced from PubChem (CID 82396272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).