2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid

C25H19NO3 — CID 3465624

IUPAC2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2ccccc2OCc2ccccc2)nc2ccccc12
InChIInChI=1S/C25H19NO3/c27-25(28)22-16-20(26-23-12-6-5-11-21(22)23)15-14-19-10-4-7-13-24(19)29-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,27,28)
InChIKeyJHFHSXVHBSICNK-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.68
Rot. Bonds6

About 2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid

2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid (PubChem CID 3465624) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
PubChem CID3465624
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2ccccc2OCc2ccccc2)nc2ccccc12
InChIInChI=1S/C25H19NO3/c27-25(28)22-16-20(26-23-12-6-5-11-21(22)23)15-14-19-10-4-7-13-24(19)29-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,27,28)
InChIKeyJHFHSXVHBSICNK-UHFFFAOYSA-N
XLogP5.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline
CID 3395564
3-bromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 18973994
2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 54000159
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 67658717
2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate
CID 7918900
phenyl-(4-phenylmethoxyquinolin-2-yl)methanone
CID 21478950
2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate
CID 9031188
2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid
CID 6299494
2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline
CID 19590683
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485
6-iodo-2-(2-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 58862468

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid (CID 3465624) is 2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(C=Cc2ccccc2OCc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
The InChIKey is JHFHSXVHBSICNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3/c27-25(28)22-16-20(26-23-12-6-5-11-21(22)23)15-14-19-10-4-7-13-24(19)29-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,27,28).
What are the key properties of 2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid has a molecular weight of 381.43 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 3465624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).