ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate

C25H21NO3 — CID 167491875

IUPACethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate
SMILESCCOC(=O)c1nc2cccc(-c3ccccc3)c2cc1OCc1ccccc1
InChIInChI=1S/C25H21NO3/c1-2-28-25(27)24-23(29-17-18-10-5-3-6-11-18)16-21-20(14-9-15-22(21)26-24)19-12-7-4-8-13-19/h3-16H,2,17H2,1H3
InChIKeyGYJDDDOTCMIXTE-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.66
Rot. Bonds6

About ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate

ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate (PubChem CID 167491875) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate
PubChem CID167491875
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Nameethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate
SMILESCCOC(=O)c1nc2cccc(-c3ccccc3)c2cc1OCc1ccccc1
InChIInChI=1S/C25H21NO3/c1-2-28-25(27)24-23(29-17-18-10-5-3-6-11-18)16-21-20(14-9-15-22(21)26-24)19-12-7-4-8-13-19/h3-16H,2,17H2,1H3
InChIKeyGYJDDDOTCMIXTE-UHFFFAOYSA-N
XLogP5.66
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-bromo-3-phenylmethoxyquinoline-2-carboxylate
CID 167492148
benzyl 3-methyl-6,7-bis(phenylmethoxy)quinoxaline-2-carboxylate
CID 86747625
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
ethyl 4-oxo-4-[5-phenyl-3-phenylmethoxy-4-(trifluoromethyl)quinolin-2-yl]butanoate
CID 167492121
ethyl 5-(4-methyl-3-phenylmethoxyphenyl)-2H-triazole-4-carboxylate
CID 169399374
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
CID 10396060
ethyl 5-bromo-3-ethylquinoline-2-carboxylate
CID 176885613
diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232497
ethyl 1-(2-methylphenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate
CID 7588497

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate?
The IUPAC name of ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate (CID 167491875) is ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate?
The canonical SMILES for ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate is CCOC(=O)c1nc2cccc(-c3ccccc3)c2cc1OCc1ccccc1.
What is the InChIKey of ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate?
The InChIKey is GYJDDDOTCMIXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-2-28-25(27)24-23(29-17-18-10-5-3-6-11-18)16-21-20(14-9-15-22(21)26-24)19-12-7-4-8-13-19/h3-16H,2,17H2,1H3.
What are the key properties of ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate?
ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate is sourced from PubChem (CID 167491875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).