2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid

C20H19NO3 — CID 4021744

IUPAC2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cc(CC)ccc3n2)cc1
InChIInChI=1S/C20H19NO3/c1-3-13-5-10-18-16(11-13)17(20(22)23)12-19(21-18)14-6-8-15(9-7-14)24-4-2/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyHGZGXCZXEFLDCL-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.56
Rot. Bonds5

About 2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid

2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid (PubChem CID 4021744) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
PubChem CID4021744
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cc(CC)ccc3n2)cc1
InChIInChI=1S/C20H19NO3/c1-3-13-5-10-18-16(11-13)17(20(22)23)12-19(21-18)14-6-8-15(9-7-14)24-4-2/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyHGZGXCZXEFLDCL-UHFFFAOYSA-N
XLogP4.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
N-(4-ethoxyphenyl)-6-ethyl-2-phenylquinoline-4-carboxamide
CID 3898421
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
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
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
CID 3925337
6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 3996403
2-[4-(4-propoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380378
2-[4-(3-ethoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380369

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid (CID 4021744) is 2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)c3cc(CC)ccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid?
The InChIKey is HGZGXCZXEFLDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-13-5-10-18-16(11-13)17(20(22)23)12-19(21-18)14-6-8-15(9-7-14)24-4-2/h5-12H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid?
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid is sourced from PubChem (CID 4021744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).