2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C15H21NO4 — CID 63685915

IUPAC2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCCCOCCOc1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C15H21NO4/c1-2-7-19-8-9-20-14-12(15(17)18)10-11-5-3-4-6-13(11)16-14/h10H,2-9H2,1H3,(H,17,18)
InChIKeySVNKHDKEELTGQW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds7

About 2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 63685915) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID63685915
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCCCOCCOc1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C15H21NO4/c1-2-7-19-8-9-20-14-12(15(17)18)10-11-5-3-4-6-13(11)16-14/h10H,2-9H2,1H3,(H,17,18)
InChIKeySVNKHDKEELTGQW-UHFFFAOYSA-N
XLogP2.46
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 63685915) is 2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CCCOCCOc1nc2c(cc1C(=O)O)CCCC2.
What is the InChIKey of 2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is SVNKHDKEELTGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-7-19-8-9-20-14-12(15(17)18)10-11-5-3-4-6-13(11)16-14/h10H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 63685915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).