(2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate

C24H17NO3 — CID 3579145

IUPAC(2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate
SMILESO=C(OC(=C(O)c1ccccc1)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C24H17NO3/c26-22(18-10-3-1-4-11-18)23(28-24(27)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)25-21/h1-16,26H
InChIKeyAQWSIMJUZHQPIG-UHFFFAOYSA-N
MW367.40 g/mol
LogP5.48
Rot. Bonds4

About (2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate

(2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate (PubChem CID 3579145) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is (2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate.

Molecular Properties

Compound Name(2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate
PubChem CID3579145
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name(2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate
SMILESO=C(OC(=C(O)c1ccccc1)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C24H17NO3/c26-22(18-10-3-1-4-11-18)23(28-24(27)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)25-21/h1-16,26H
InChIKeyAQWSIMJUZHQPIG-UHFFFAOYSA-N
XLogP5.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate?
The IUPAC name of (2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate (CID 3579145) is (2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate.
What is the SMILES notation for (2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate?
The canonical SMILES for (2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate is O=C(OC(=C(O)c1ccccc1)c1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of (2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate?
The InChIKey is AQWSIMJUZHQPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c26-22(18-10-3-1-4-11-18)23(28-24(27)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)25-21/h1-16,26H.
What are the key properties of (2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate?
(2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate has a molecular weight of 367.40 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate is sourced from PubChem (CID 3579145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).