(4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

C23H19NO3 — CID 24603462

IUPAC(4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESO=C1CC(C(=O)OCc2ccc(-c3ccccc3)cc2)c2ccccc2N1
InChIInChI=1S/C23H19NO3/c25-22-14-20(19-8-4-5-9-21(19)24-22)23(26)27-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-13,20H,14-15H2,(H,24,25)
InChIKeyVDSAOTYHVBZPRO-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.52
Rot. Bonds4

About (4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

(4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 24603462) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
PubChem CID24603462
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESO=C1CC(C(=O)OCc2ccc(-c3ccccc3)cc2)c2ccccc2N1
InChIInChI=1S/C23H19NO3/c25-22-14-20(19-8-4-5-9-21(19)24-22)23(26)27-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-13,20H,14-15H2,(H,24,25)
InChIKeyVDSAOTYHVBZPRO-UHFFFAOYSA-N
XLogP4.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The IUPAC name of (4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 24603462) is (4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for (4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The canonical SMILES for (4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is O=C1CC(C(=O)OCc2ccc(-c3ccccc3)cc2)c2ccccc2N1.
What is the InChIKey of (4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The InChIKey is VDSAOTYHVBZPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-22-14-20(19-8-4-5-9-21(19)24-22)23(26)27-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-13,20H,14-15H2,(H,24,25).
What are the key properties of (4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
(4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 24603462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).