2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide

C29H23N3O3 — CID 46506811

IUPAC2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H23N3O3/c33-27(30-23-15-17-24(18-16-23)35-20-21-9-3-1-4-10-21)19-32-26-14-8-7-13-25(26)28(31-29(32)34)22-11-5-2-6-12-22/h1-18H,19-20H2,(H,30,33)
InChIKeyMPUFVQYPTPOXEQ-UHFFFAOYSA-N
MW461.52 g/mol
LogP5.28
Rot. Bonds7

About 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide

2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 46506811) has the molecular formula C29H23N3O3 and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID46506811
Molecular FormulaC29H23N3O3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC Name2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H23N3O3/c33-27(30-23-15-17-24(18-16-23)35-20-21-9-3-1-4-10-21)19-32-26-14-8-7-13-25(26)28(31-29(32)34)22-11-5-2-6-12-22/h1-18H,19-20H2,(H,30,33)
InChIKeyMPUFVQYPTPOXEQ-UHFFFAOYSA-N
XLogP5.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 16875842
N-(3-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721691
N-(2-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721690
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 99139728
N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721712
4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylic acid
CID 2387556
N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346770
N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346696
2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 166251748
2-(2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 110686797
4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate
CID 2387555

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide (CID 46506811) is 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide is O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is MPUFVQYPTPOXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3/c33-27(30-23-15-17-24(18-16-23)35-20-21-9-3-1-4-10-21)19-32-26-14-8-7-13-25(26)28(31-29(32)34)22-11-5-2-6-12-22/h1-18H,19-20H2,(H,30,33).
What are the key properties of 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide?
2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 461.52 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 46506811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).