N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide

C25H23N3O2 — CID 46346770

IUPACN-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1C
InChIInChI=1S/C25H23N3O2/c1-17-12-13-19(14-18(17)2)15-26-23(29)16-28-22-11-7-6-10-21(22)24(27-25(28)30)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyXKMDMFJSGPCVTF-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.00
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide

N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide (PubChem CID 46346770) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
PubChem CID46346770
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1C
InChIInChI=1S/C25H23N3O2/c1-17-12-13-19(14-18(17)2)15-26-23(29)16-28-22-11-7-6-10-21(22)24(27-25(28)30)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyXKMDMFJSGPCVTF-UHFFFAOYSA-N
XLogP4.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346777
2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20963084
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346696
N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721712
N-(2-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721690
N-(3-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721691
2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 46506811
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
CID 46346733
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95917137
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
CID 45030979
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 51369032

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide (CID 46346770) is N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide is Cc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The InChIKey is XKMDMFJSGPCVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-12-13-19(14-18(17)2)15-26-23(29)16-28-22-11-7-6-10-21(22)24(27-25(28)30)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide is sourced from PubChem (CID 46346770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).