4-butoxy-N-(2-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide
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Basic information
- CAS
786706-21-6- Standard SMILES
CCCCOc1ccc(C(=O)NN2C(=O)c3ccccc3NC2c2ccc(OC)cc2)cc1- InChIKey
XORVAHQXRDLSFT-UHFFFAOYSA-N- Molecular formula
- C26H27N3O4
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.20015635
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-butoxy-N-(2-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide
- IUPAC
- 4-butoxy-N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
- English name
- 4-Butoxy-N-[1,4-dihydro-2-(4-methoxyphenyl)-4-oxo-3(2H)-quinazolinyl]benzamide
- Molecular formula
- C26H27N3O4
- Molecular weight
- 445.51
Names & synonyms
4-butoxy-n-(2-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-2h-quinazolin-3-yl)-benzamideRefChem:178146Quin C1786706-21-6quin-C14-butoxy-N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide4-butoxy-N-(2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3(4H)-yl)benzamide4-Butoxy-N-[1,4-dihydro-2-(4-methoxyphenyl)-4-oxo-3(2H)-quinazolinyl]benzamideGTPL6265orb1692193SCHEMBL19384377SCHEMBL30987825
Show more names
Benzamide, 4-butoxy-N-[1,4-dihydro-2-(4-methoxyphenyl)-4-oxo-3(2H)-quinazolinyl]-
GLXC-07490LGB70621EX-A14339AKOS0274702174-butoxy-N-(2-(4-methoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl)benzamideWS-03024HY-110246CS-0033111
Database identifiers
- CAS
786706-21-6
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 643
Physicochemical properties
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 10.1 · 10.10±0.40(Predicted)
- form
- Solid
- color
- Off-white to light yellow
Chemistry & industry
Applications
UsesQuin C1 is a novel nonpeptide ligand that binds to FPRL1 and selectively stimulates FPRL1-mediated functions.
Related reactions
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Compound notes
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