methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate

C26H23NO3 — CID 58944756

IUPACmethyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C26H23NO3/c1-29-26(28)16-13-19-11-14-22(15-12-19)30-18-21-17-25(20-7-3-2-4-8-20)27-24-10-6-5-9-23(21)24/h2-12,14-15,17H,13,16,18H2,1H3
InChIKeySSXGCGUCQGMOSM-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.59
Rot. Bonds7

About methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate

methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate (PubChem CID 58944756) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate
PubChem CID58944756
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Namemethyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C26H23NO3/c1-29-26(28)16-13-19-11-14-22(15-12-19)30-18-21-17-25(20-7-3-2-4-8-20)27-24-10-6-5-9-23(21)24/h2-12,14-15,17H,13,16,18H2,1H3
InChIKeySSXGCGUCQGMOSM-UHFFFAOYSA-N
XLogP5.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal
CID 142258913
methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate
CID 20748815
methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate
CID 23159922
ethane;methyl 3-[4-[(2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoate
CID 123182715
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-[4-(4-phenoxybutoxy)phenyl]propanoate
CID 67685934
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
methyl 3-[4-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]phenyl]propanoate
CID 23159874
3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate
CID 23159895

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate (CID 58944756) is methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate is COC(=O)CCc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate?
The InChIKey is SSXGCGUCQGMOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-29-26(28)16-13-19-11-14-22(15-12-19)30-18-21-17-25(20-7-3-2-4-8-20)27-24-10-6-5-9-23(21)24/h2-12,14-15,17H,13,16,18H2,1H3.
What are the key properties of methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate?
methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate has a molecular weight of 397.47 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate is sourced from PubChem (CID 58944756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).