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

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Related Compounds

1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
CID 39104414
1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
CID 129301440
1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 86703343
2-(1-ethyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 115114838
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18125383
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 46405965
(2S,3S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 61258316
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
6-ethenyl-1-ethyl-3,4-dihydro-2H-quinoline
CID 170444076
3-(azepan-1-yl)-3-(4-methoxyphenyl)butanoic acid
CID 64526937

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).