propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate

C24H25NO7 — CID 42534440

IUPACpropyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate
SMILESCCCOC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(CCOC)C4)cc1
InChIInChI=1S/C24H25NO7/c1-3-11-29-24(27)16-4-6-17(7-5-16)32-21-14-30-23-18(22(21)26)8-9-20-19(23)13-25(15-31-20)10-12-28-2/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyQOGXCSFVGARRHR-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.95
Rot. Bonds8

About propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate

propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate (PubChem CID 42534440) has the molecular formula C24H25NO7 and a molecular weight of 439.46 g/mol. Its IUPAC name is propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate
PubChem CID42534440
Molecular FormulaC24H25NO7
Molecular Weight439.46 g/mol
Exact Mass439.16
IUPAC Namepropyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate
SMILESCCCOC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(CCOC)C4)cc1
InChIInChI=1S/C24H25NO7/c1-3-11-29-24(27)16-4-6-17(7-5-16)32-21-14-30-23-18(22(21)26)8-9-20-19(23)13-25(15-31-20)10-12-28-2/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyQOGXCSFVGARRHR-UHFFFAOYSA-N
XLogP3.95
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate 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

ethyl 4-[[9-(2-methoxyethyl)-2-methyl-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate
CID 42570249
3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
CID 42580760
propyl 4-[[9-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate
CID 95397308
propyl 4-[[9-[(3,4-dichlorophenyl)methyl]-2-methyl-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate
CID 95397297
propyl 4-[7-hydroxy-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxochromen-3-yl]oxybenzoate
CID 95399494
3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
CID 25282759
propyl 4-[7-(2-methylpropanoyloxy)-4-oxochromen-3-yl]oxybenzoate
CID 2011635
[4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 3-nitrobenzoate
CID 2015150
methyl 4-[(2-methyl-4-oxo-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl)oxy]benzoate
CID 42581941
3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
CID 75366704
methyl 4-[8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxochromen-3-yl]oxybenzoate
CID 6067645
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate?
The IUPAC name of propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate (CID 42534440) is propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate.
What is the SMILES notation for propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate?
The canonical SMILES for propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate is CCCOC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(CCOC)C4)cc1.
What is the InChIKey of propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate?
The InChIKey is QOGXCSFVGARRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO7/c1-3-11-29-24(27)16-4-6-17(7-5-16)32-21-14-30-23-18(22(21)26)8-9-20-19(23)13-25(15-31-20)10-12-28-2/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate?
propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate has a molecular weight of 439.46 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate is sourced from PubChem (CID 42534440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).