2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde

C24H21NO3 — CID 9009861

IUPAC2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCC(=O)N2CC=C(c3ccccc3)CC2)ccc2ccccc12
InChIInChI=1S/C24H21NO3/c26-16-22-21-9-5-4-8-20(21)10-11-23(22)28-17-24(27)25-14-12-19(13-15-25)18-6-2-1-3-7-18/h1-12,16H,13-15,17H2
InChIKeyKSJZIYVPXQEAPL-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.35
Rot. Bonds5

About 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde

2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde (PubChem CID 9009861) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde
PubChem CID9009861
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCC(=O)N2CC=C(c3ccccc3)CC2)ccc2ccccc12
InChIInChI=1S/C24H21NO3/c26-16-22-21-9-5-4-8-20(21)10-11-23(22)28-17-24(27)25-14-12-19(13-15-25)18-6-2-1-3-7-18/h1-12,16H,13-15,17H2
InChIKeyKSJZIYVPXQEAPL-UHFFFAOYSA-N
XLogP4.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzaldehyde
CID 9006939
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] acetate
CID 140988563
2-(2-chloro-4-nitrophenoxy)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8587566
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-phenoxyacetate
CID 9018269
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 9201424
2-(1-bromonaphthalen-2-yl)oxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 37027726
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(2-chloro-4-fluorophenoxy)acetate
CID 8565655
2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide
CID 28913283
2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde
CID 22687128
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone
CID 172662682
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 9017616

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde (CID 9009861) is 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde is O=Cc1c(OCC(=O)N2CC=C(c3ccccc3)CC2)ccc2ccccc12.
What is the InChIKey of 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde?
The InChIKey is KSJZIYVPXQEAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c26-16-22-21-9-5-4-8-20(21)10-11-23(22)28-17-24(27)25-14-12-19(13-15-25)18-6-2-1-3-7-18/h1-12,16H,13-15,17H2.
What are the key properties of 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde?
2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde has a molecular weight of 371.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 9009861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).