methyl 2-(4-phenylphenyl)quinoline-4-carboxylate

C23H17NO2 — CID 5184531

IUPACmethyl 2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C23H17NO2/c1-26-23(25)20-15-22(24-21-10-6-5-9-19(20)21)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeySMEMTWUJYPCJFL-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.36
Rot. Bonds3

About methyl 2-(4-phenylphenyl)quinoline-4-carboxylate

methyl 2-(4-phenylphenyl)quinoline-4-carboxylate (PubChem CID 5184531) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 2-(4-phenylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-phenylphenyl)quinoline-4-carboxylate
PubChem CID5184531
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Namemethyl 2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C23H17NO2/c1-26-23(25)20-15-22(24-21-10-6-5-9-19(20)21)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeySMEMTWUJYPCJFL-UHFFFAOYSA-N
XLogP5.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The IUPAC name of methyl 2-(4-phenylphenyl)quinoline-4-carboxylate (CID 5184531) is methyl 2-(4-phenylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 2-(4-phenylphenyl)quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The InChIKey is SMEMTWUJYPCJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c1-26-23(25)20-15-22(24-21-10-6-5-9-19(20)21)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3.
What are the key properties of methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
methyl 2-(4-phenylphenyl)quinoline-4-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-phenylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 5184531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).