1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C15H21NO3 — CID 65056934

IUPAC1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCOCCC(C)N1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C15H21NO3/c1-11(8-10-19-2)16-9-4-6-12-13(15(17)18)5-3-7-14(12)16/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,17,18)
InChIKeyCFYXPZDAFXCAEK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.56
Rot. Bonds5

About 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 65056934) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID65056934
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCOCCC(C)N1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C15H21NO3/c1-11(8-10-19-2)16-9-4-6-12-13(15(17)18)5-3-7-14(12)16/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,17,18)
InChIKeyCFYXPZDAFXCAEK-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 65056934) is 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is COCCC(C)N1CCCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is CFYXPZDAFXCAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(8-10-19-2)16-9-4-6-12-13(15(17)18)5-3-7-14(12)16/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 65056934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).