1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid

C16H23NO4 — CID 103181381

IUPAC1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCOCCCOCCN1CCC(C(=O)O)c2ccccc21
InChIInChI=1S/C16H23NO4/c1-20-10-4-11-21-12-9-17-8-7-14(16(18)19)13-5-2-3-6-15(13)17/h2-3,5-6,14H,4,7-12H2,1H3,(H,18,19)
InChIKeyNQQDOBXICBCXPM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.12
Rot. Bonds8

About 1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid

1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 103181381) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID103181381
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCOCCCOCCN1CCC(C(=O)O)c2ccccc21
InChIInChI=1S/C16H23NO4/c1-20-10-4-11-21-12-9-17-8-7-14(16(18)19)13-5-2-3-6-15(13)17/h2-3,5-6,14H,4,7-12H2,1H3,(H,18,19)
InChIKeyNQQDOBXICBCXPM-UHFFFAOYSA-N
XLogP2.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.12
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 1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 103181381) is 1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid is COCCCOCCN1CCC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is NQQDOBXICBCXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-10-4-11-21-12-9-17-8-7-14(16(18)19)13-5-2-3-6-15(13)17/h2-3,5-6,14H,4,7-12H2,1H3,(H,18,19).
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 103181381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).