2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid

C20H19NO4 — CID 753136

IUPAC2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)c(OCC)c1
InChIInChI=1S/C20H19NO4/c1-3-24-13-9-10-15(19(11-13)25-4-2)18-12-16(20(22)23)14-7-5-6-8-17(14)21-18/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyOPQKIVHATIKTHV-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.40
Rot. Bonds6

About 2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid

2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 753136) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid
PubChem CID753136
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)c(OCC)c1
InChIInChI=1S/C20H19NO4/c1-3-24-13-9-10-15(19(11-13)25-4-2)18-12-16(20(22)23)14-7-5-6-8-17(14)21-18/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyOPQKIVHATIKTHV-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-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3507309
6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 4021032
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247
2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 5239510
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353296
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689284
2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
CID 4565614
2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
CID 59551815
2,4-diethoxy-1-phenylbenzene
CID 132889855

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid (CID 753136) is 2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)c(OCC)c1.
What is the InChIKey of 2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is OPQKIVHATIKTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-24-13-9-10-15(19(11-13)25-4-2)18-12-16(20(22)23)14-7-5-6-8-17(14)21-18/h5-12H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid?
2-(2,4-diethoxyphenyl)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 2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 753136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).