2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid

C21H25NO3 — CID 19868047

IUPAC2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid
SMILESCCN1CCCc2cc(C(C)(C(=O)O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C21H25NO3/c1-4-22-13-5-6-15-14-17(9-12-19(15)22)21(2,20(23)24)16-7-10-18(25-3)11-8-16/h7-12,14H,4-6,13H2,1-3H3,(H,23,24)
InChIKeyBOAJCPDTAPNMMI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.86
Rot. Bonds5

About 2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid

2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid (PubChem CID 19868047) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid
PubChem CID19868047
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid
SMILESCCN1CCCc2cc(C(C)(C(=O)O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C21H25NO3/c1-4-22-13-5-6-15-14-17(9-12-19(15)22)21(2,20(23)24)16-7-10-18(25-3)11-8-16/h7-12,14H,4-6,13H2,1-3H3,(H,23,24)
InChIKeyBOAJCPDTAPNMMI-UHFFFAOYSA-N
XLogP3.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid (CID 19868047) is 2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid is CCN1CCCc2cc(C(C)(C(=O)O)c3ccc(OC)cc3)ccc21.
What is the InChIKey of 2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid?
The InChIKey is BOAJCPDTAPNMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-22-13-5-6-15-14-17(9-12-19(15)22)21(2,20(23)24)16-7-10-18(25-3)11-8-16/h7-12,14H,4-6,13H2,1-3H3,(H,23,24).
What are the key properties of 2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid?
2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid has a molecular weight of 339.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 19868047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).