phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

C23H17NO3 — CID 1124663

IUPACphenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)Oc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H17NO3/c1-26-17-13-11-16(12-14-17)22-15-20(19-9-5-6-10-21(19)24-22)23(25)27-18-7-3-2-4-8-18/h2-15H,1H3
InChIKeyGXAUSDZHCHDYKC-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.13
Rot. Bonds4

About phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 1124663) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namephenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID1124663
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Namephenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)Oc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H17NO3/c1-26-17-13-11-16(12-14-17)22-15-20(19-9-5-6-10-21(19)24-22)23(25)27-18-7-3-2-4-8-18/h2-15H,1H3
InChIKeyGXAUSDZHCHDYKC-UHFFFAOYSA-N
XLogP5.13
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 1124663) is phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)Oc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is GXAUSDZHCHDYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-26-17-13-11-16(12-14-17)22-15-20(19-9-5-6-10-21(19)24-22)23(25)27-18-7-3-2-4-8-18/h2-15H,1H3.
What are the key properties of phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 1124663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).