1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one

C24H19NO3 — CID 54704797

IUPAC1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one
SMILESCCn1c(=O)c(C(=O)C=Cc2ccc3ccccc3c2)c(O)c2ccccc21
InChIInChI=1S/C24H19NO3/c1-2-25-20-10-6-5-9-19(20)23(27)22(24(25)28)21(26)14-12-16-11-13-17-7-3-4-8-18(17)15-16/h3-15,27H,2H2,1H3
InChIKeyOVBPUGUJTMBOMP-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.78
Rot. Bonds4

About 1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one

1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one (PubChem CID 54704797) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one
PubChem CID54704797
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one
SMILESCCn1c(=O)c(C(=O)C=Cc2ccc3ccccc3c2)c(O)c2ccccc21
InChIInChI=1S/C24H19NO3/c1-2-25-20-10-6-5-9-19(20)23(27)22(24(25)28)21(26)14-12-16-11-13-17-7-3-4-8-18(17)15-16/h3-15,27H,2H2,1H3
InChIKeyOVBPUGUJTMBOMP-UHFFFAOYSA-N
XLogP4.78
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one (CID 54704797) is 1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one is CCn1c(=O)c(C(=O)C=Cc2ccc3ccccc3c2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one?
The InChIKey is OVBPUGUJTMBOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-2-25-20-10-6-5-9-19(20)23(27)22(24(25)28)21(26)14-12-16-11-13-17-7-3-4-8-18(17)15-16/h3-15,27H,2H2,1H3.
What are the key properties of 1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one?
1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one has a molecular weight of 369.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one is sourced from PubChem (CID 54704797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).