N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide

C18H19N3O — CID 12628975

IUPACN-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide
SMILESCC(=O)NC1=Nc2ccccc2CN1Cc1ccccc1C
InChIInChI=1S/C18H19N3O/c1-13-7-3-4-8-15(13)11-21-12-16-9-5-6-10-17(16)20-18(21)19-14(2)22/h3-10H,11-12H2,1-2H3,(H,19,20,22)
InChIKeyQNGCGZHGESQBPU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.13
Rot. Bonds2

About N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide

N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide (PubChem CID 12628975) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide
PubChem CID12628975
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide
SMILESCC(=O)NC1=Nc2ccccc2CN1Cc1ccccc1C
InChIInChI=1S/C18H19N3O/c1-13-7-3-4-8-15(13)11-21-12-16-9-5-6-10-17(16)20-18(21)19-14(2)22/h3-10H,11-12H2,1-2H3,(H,19,20,22)
InChIKeyQNGCGZHGESQBPU-UHFFFAOYSA-N
XLogP3.13
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]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 N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide?
The IUPAC name of N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide (CID 12628975) is N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide?
The canonical SMILES for N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide is CC(=O)NC1=Nc2ccccc2CN1Cc1ccccc1C.
What is the InChIKey of N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide?
The InChIKey is QNGCGZHGESQBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-7-3-4-8-15(13)11-21-12-16-9-5-6-10-17(16)20-18(21)19-14(2)22/h3-10H,11-12H2,1-2H3,(H,19,20,22).
What are the key properties of N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide?
N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylphenyl)methyl]-4H-quinazolin-2-yl]acetamide is sourced from PubChem (CID 12628975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).