2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C25H24N4O3 — CID 56685527

IUPAC2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(=O)nc(NCc2ccccc2)c2ccccc21
InChIInChI=1S/C25H24N4O3/c1-17-12-13-22(32-2)20(14-17)27-23(30)16-29-21-11-7-6-10-19(21)24(28-25(29)31)26-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,27,30)(H,26,28,31)
InChIKeyKVPVFVSZZKOBEI-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.96
Rot. Bonds7

About 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 56685527) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID56685527
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(=O)nc(NCc2ccccc2)c2ccccc21
InChIInChI=1S/C25H24N4O3/c1-17-12-13-22(32-2)20(14-17)27-23(30)16-29-21-11-7-6-10-19(21)24(28-25(29)31)26-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,27,30)(H,26,28,31)
InChIKeyKVPVFVSZZKOBEI-UHFFFAOYSA-N
XLogP3.96
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide 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

2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56685539
2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9119353
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56685509
2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56685652
2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 56685548
2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 976850
2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46550854
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 22330285
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
N-(2-methoxy-5-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)acetamide
CID 84573070
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410069

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 56685527) is 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1c(=O)nc(NCc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is KVPVFVSZZKOBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-17-12-13-22(32-2)20(14-17)27-23(30)16-29-21-11-7-6-10-19(21)24(28-25(29)31)26-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,27,30)(H,26,28,31).
What are the key properties of 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 428.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 56685527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).