N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide

C23H18ClN3O2 — CID 8721714

IUPACN-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESO=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O2/c24-18-12-10-16(11-13-18)14-25-21(28)15-27-20-9-5-4-8-19(20)22(26-23(27)29)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,28)
InChIKeyVTJHRRRFNCAXAD-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.03
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide (PubChem CID 8721714) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
PubChem CID8721714
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESO=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O2/c24-18-12-10-16(11-13-18)14-25-21(28)15-27-20-9-5-4-8-19(20)22(26-23(27)29)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,28)
InChIKeyVTJHRRRFNCAXAD-UHFFFAOYSA-N
XLogP4.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide (CID 8721714) is N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide is O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The InChIKey is VTJHRRRFNCAXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-18-12-10-16(11-13-18)14-25-21(28)15-27-20-9-5-4-8-19(20)22(26-23(27)29)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide has a molecular weight of 403.87 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide is sourced from PubChem (CID 8721714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).