(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate

C25H21NO3 — CID 7603582

IUPAC(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
SMILESCOc1ccc(C)cc1COC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H21NO3/c1-17-12-13-24(28-2)19(14-17)16-29-25(27)21-15-23(18-8-4-3-5-9-18)26-22-11-7-6-10-20(21)22/h3-15H,16H2,1-2H3
InChIKeyJERZRVDOSTYECK-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.58
Rot. Bonds5

About (2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate

(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate (PubChem CID 7603582) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
PubChem CID7603582
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
SMILESCOc1ccc(C)cc1COC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H21NO3/c1-17-12-13-24(28-2)19(14-17)16-29-25(27)21-15-23(18-8-4-3-5-9-18)26-22-11-7-6-10-20(21)22/h3-15H,16H2,1-2H3
InChIKeyJERZRVDOSTYECK-UHFFFAOYSA-N
XLogP5.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-ylmethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3310095
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983
(7-methyl-2-oxochromen-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3477697
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate
CID 23733264
(2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501206
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 8820337
(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 19101104
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939
(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2434662

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate (CID 7603582) is (2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate is COc1ccc(C)cc1COC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate?
The InChIKey is JERZRVDOSTYECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-17-12-13-24(28-2)19(14-17)16-29-25(27)21-15-23(18-8-4-3-5-9-18)26-22-11-7-6-10-20(21)22/h3-15H,16H2,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate?
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 7603582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).