prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate

C19H15NO4 — CID 54737721

IUPACprop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
SMILESC=CCOC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H15NO4/c1-2-12-24-19(23)16-17(21)14-10-6-7-11-15(14)20(18(16)22)13-8-4-3-5-9-13/h2-11,21H,1,12H2
InChIKeyPSLRLDVMJIPVFV-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.04
Rot. Bonds4

About prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate

prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate (PubChem CID 54737721) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
PubChem CID54737721
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Nameprop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
SMILESC=CCOC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H15NO4/c1-2-12-24-19(23)16-17(21)14-10-6-7-11-15(14)20(18(16)22)13-8-4-3-5-9-13/h2-11,21H,1,12H2
InChIKeyPSLRLDVMJIPVFV-UHFFFAOYSA-N
XLogP3.04
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54736636
(E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione
CID 54722131
N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54712310
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 71814744
4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135470083
N-(2-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731601
N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731614
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate
CID 66667210
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one
CID 54729849
3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one
CID 136756876
4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
CID 102581403

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate?
The IUPAC name of prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate (CID 54737721) is prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate.
What is the SMILES notation for prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate?
The canonical SMILES for prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate is C=CCOC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate?
The InChIKey is PSLRLDVMJIPVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-2-12-24-19(23)16-17(21)14-10-6-7-11-15(14)20(18(16)22)13-8-4-3-5-9-13/h2-11,21H,1,12H2.
What are the key properties of prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate?
prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate is sourced from PubChem (CID 54737721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).