2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid

C25H21NO4 — CID 22407414

IUPAC2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid
SMILESCc1cc(OCc2ccc(OC(C(=O)O)c3ccccc3)cc2)c2ccccc2n1
InChIInChI=1S/C25H21NO4/c1-17-15-23(21-9-5-6-10-22(21)26-17)29-16-18-11-13-20(14-12-18)30-24(25(27)28)19-7-3-2-4-8-19/h2-15,24H,16H2,1H3,(H,27,28)
InChIKeyMOBQBPKBGUYYCB-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.33
Rot. Bonds7

About 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid

2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid (PubChem CID 22407414) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid
PubChem CID22407414
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid
SMILESCc1cc(OCc2ccc(OC(C(=O)O)c3ccccc3)cc2)c2ccccc2n1
InChIInChI=1S/C25H21NO4/c1-17-15-23(21-9-5-6-10-22(21)26-17)29-16-18-11-13-20(14-12-18)30-24(25(27)28)19-7-3-2-4-8-19/h2-15,24H,16H2,1H3,(H,27,28)
InChIKeyMOBQBPKBGUYYCB-UHFFFAOYSA-N
XLogP5.33
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid
CID 12754883
2-phenyl-2-quinolin-3-yloxyacetic acid
CID 107386759
2-[4-(2-methylquinolin-4-yl)oxyphenyl]ethanol
CID 107709613
4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
CID 142907394
2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid
CID 20783005
phenyl-(4-phenylmethoxyquinolin-2-yl)methanone
CID 21478950
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
CID 7062308

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid?
The IUPAC name of 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid (CID 22407414) is 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid.
What is the SMILES notation for 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid?
The canonical SMILES for 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid is Cc1cc(OCc2ccc(OC(C(=O)O)c3ccccc3)cc2)c2ccccc2n1.
What is the InChIKey of 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid?
The InChIKey is MOBQBPKBGUYYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-17-15-23(21-9-5-6-10-22(21)26-17)29-16-18-11-13-20(14-12-18)30-24(25(27)28)19-7-3-2-4-8-19/h2-15,24H,16H2,1H3,(H,27,28).
What are the key properties of 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid?
2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid has a molecular weight of 399.45 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenoxy]-2-phenylacetic acid is sourced from PubChem (CID 22407414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).