N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide

C25H21N3O3 — CID 14508397

IUPACN-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1
InChIInChI=1S/C25H21N3O3/c1-16-7-3-6-10-22(16)28-24(27-21-9-5-4-8-20(21)25(28)31)15-23(30)18-11-13-19(14-12-18)26-17(2)29/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyZQLDYDUECCYXNE-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.08
Rot. Bonds5

About N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide

N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide (PubChem CID 14508397) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide
PubChem CID14508397
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1
InChIInChI=1S/C25H21N3O3/c1-16-7-3-6-10-22(16)28-24(27-21-9-5-4-8-20(21)25(28)31)15-23(30)18-11-13-19(14-12-18)26-17(2)29/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyZQLDYDUECCYXNE-UHFFFAOYSA-N
XLogP4.08
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide (CID 14508397) is N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)Cc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1.
What is the InChIKey of N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide?
The InChIKey is ZQLDYDUECCYXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-16-7-3-6-10-22(16)28-24(27-21-9-5-4-8-20(21)25(28)31)15-23(30)18-11-13-19(14-12-18)26-17(2)29/h3-14H,15H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide?
N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide has a molecular weight of 411.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetyl]phenyl]acetamide is sourced from PubChem (CID 14508397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).