2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde

C26H21N3O5 — CID 155544006

IUPAC2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)ccc2ccccc12
InChIInChI=1S/C26H21N3O5/c30-16-23-22-5-2-1-4-18(22)7-10-24(23)33-17-20-15-29(28-27-20)12-3-13-32-21-9-6-19-8-11-26(31)34-25(19)14-21/h1-2,4-11,14-16H,3,12-13,17H2
InChIKeyNARJOJGQAMSQMD-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.40
Rot. Bonds9

About 2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde

2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde (PubChem CID 155544006) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde
PubChem CID155544006
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC Name2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)ccc2ccccc12
InChIInChI=1S/C26H21N3O5/c30-16-23-22-5-2-1-4-18(22)7-10-24(23)33-17-20-15-29(28-27-20)12-3-13-32-21-9-6-19-8-11-26(31)34-25(19)14-21/h1-2,4-11,14-16H,3,12-13,17H2
InChIKeyNARJOJGQAMSQMD-UHFFFAOYSA-N
XLogP4.40
TPSA96.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

6-Methyl-2-[4-[4-[1-[2-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxy]ethyl]triazol-4-yl]butoxy]phenyl]chromen-4-one
CID 89784708
7-[2-[2-[2-[4-[2-(4-Oxo-2-phenylchromen-7-yl)oxyethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-2-phenylchromen-4-one
CID 89784735
7-[2-[[1-[2-[2-[2-[4-(6-Fluoro-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-2-phenylchromen-4-one
CID 89784756
7-[2-[2-[4-[2-(4-Oxo-2-phenylchromen-7-yl)oxyethoxymethyl]triazol-1-yl]ethoxy]ethoxy]-2-phenylchromen-4-one
CID 89784760
7-[2-[[1-[2-[2-[4-(4-Oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-2-phenylchromen-4-one
CID 89785064
6-Methyl-2-[4-[2-[2-[2-[4-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one
CID 89785178
7-[2-[[1-[2-[2-[2-[4-(4-Oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-2-phenylchromen-4-one
CID 89785210
7-[2-[[1-[2-[2-[4-(6-Fluoro-4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-2-phenylchromen-4-one
CID 89785254
Methyl 3-[[4-oxo-2-[4-[2-[2-[2-[4-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-3-yl]oxymethyl]benzoate
CID 89795340
Methyl 3-[[4-oxo-2-[4-[2-[2-[4-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxymethyl]triazol-1-yl]ethoxy]ethoxy]phenyl]chromen-3-yl]oxymethyl]benzoate
CID 117777811
4-[2-[[1-[(4-Tert-butylphenyl)methyl]triazol-4-yl]methoxy]-4-methoxybenzoyl]-6-(2-methylphenyl)cyclohexa-2,4-dien-1-one
CID 73346154
2-[[1-[(9,10-Dioxoanthracen-2-yl)methyl]triazol-4-yl]methoxy]benzaldehyde
CID 137639192

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde (CID 155544006) is 2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde is O=Cc1c(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)ccc2ccccc12.
What is the InChIKey of 2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde?
The InChIKey is NARJOJGQAMSQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c30-16-23-22-5-2-1-4-18(22)7-10-24(23)33-17-20-15-29(28-27-20)12-3-13-32-21-9-6-19-8-11-26(31)34-25(19)14-21/h1-2,4-11,14-16H,3,12-13,17H2.
What are the key properties of 2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde?
2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde has a molecular weight of 455.47 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(2-oxochromen-7-yl)oxypropyl]triazol-4-yl]methoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 155544006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).