6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid

C25H21NO3 — CID 4711645

IUPAC6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
SMILESCCc1ccc2nc(-c3ccc(OCc4ccccc4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C25H21NO3/c1-2-17-8-13-23-21(14-17)22(25(27)28)15-24(26-23)19-9-11-20(12-10-19)29-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,27,28)
InChIKeyWFHHVXWQVLAFTO-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.74
Rot. Bonds6

About 6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid

6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 4711645) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
PubChem CID4711645
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
SMILESCCc1ccc2nc(-c3ccc(OCc4ccccc4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C25H21NO3/c1-2-17-8-13-23-21(14-17)22(25(27)28)15-24(26-23)19-9-11-20(12-10-19)29-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,27,28)
InChIKeyWFHHVXWQVLAFTO-UHFFFAOYSA-N
XLogP5.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
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
2-[4-(4-butoxyphenyl)phenyl]-6-iodoquinoline-4-carboxylic acid
CID 170148625
6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 3996403
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 7139650
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
CID 46779788
6-iodo-2-(2-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 58862468

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid (CID 4711645) is 6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid is CCc1ccc2nc(-c3ccc(OCc4ccccc4)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is WFHHVXWQVLAFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-2-17-8-13-23-21(14-17)22(25(27)28)15-24(26-23)19-9-11-20(12-10-19)29-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,27,28).
What are the key properties of 6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4711645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).