6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid

C20H19NO4 — CID 3511446

IUPAC6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cc(OCC)ccc3n2)cc1
InChIInChI=1S/C20H19NO4/c1-3-24-14-7-5-13(6-8-14)19-12-17(20(22)23)16-11-15(25-4-2)9-10-18(16)21-19/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyGYRWHIHMWOUEFX-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.40
Rot. Bonds6

About 6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid

6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 3511446) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
PubChem CID3511446
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cc(OCC)ccc3n2)cc1
InChIInChI=1S/C20H19NO4/c1-3-24-14-7-5-13(6-8-14)19-12-17(20(22)23)16-11-15(25-4-2)9-10-18(16)21-19/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyGYRWHIHMWOUEFX-UHFFFAOYSA-N
XLogP4.40
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
CID 3925337
8-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073739
2-[4-(4-butoxyphenyl)phenyl]-6-iodoquinoline-4-carboxylic acid
CID 170148625
2-[4-(3-ethoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380369
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3507309
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 4021032
2-[4-(4-propoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380378
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid (CID 3511446) is 6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)c3cc(OCC)ccc3n2)cc1.
What is the InChIKey of 6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is GYRWHIHMWOUEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-24-14-7-5-13(6-8-14)19-12-17(20(22)23)16-11-15(25-4-2)9-10-18(16)21-19/h5-12H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3511446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).