2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide

C24H23N3O3 — CID 17478602

IUPAC2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESCc1ccc(CN2C(=O)c3ccccc3NC2c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-6-8-17(9-7-16)14-27-23(26-21-5-3-2-4-20(21)24(27)29)18-10-12-19(13-11-18)30-15-22(25)28/h2-13,23,26H,14-15H2,1H3,(H2,25,28)
InChIKeyMNUGXSIDDZERAI-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.63
Rot. Bonds6

About 2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide

2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (PubChem CID 17478602) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
PubChem CID17478602
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESCc1ccc(CN2C(=O)c3ccccc3NC2c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-6-8-17(9-7-16)14-27-23(26-21-5-3-2-4-20(21)24(27)29)18-10-12-19(13-11-18)30-15-22(25)28/h2-13,23,26H,14-15H2,1H3,(H2,25,28)
InChIKeyMNUGXSIDDZERAI-UHFFFAOYSA-N
XLogP3.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide 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 2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (CID 17478602) is 2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is Cc1ccc(CN2C(=O)c3ccccc3NC2c2ccc(OCC(N)=O)cc2)cc1.
What is the InChIKey of 2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The InChIKey is MNUGXSIDDZERAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16-6-8-17(9-7-16)14-27-23(26-21-5-3-2-4-20(21)24(27)29)18-10-12-19(13-11-18)30-15-22(25)28/h2-13,23,26H,14-15H2,1H3,(H2,25,28).
What are the key properties of 2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 17478602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).