2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide

C23H18ClN3O3 — CID 16875842

IUPAC2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C23H18ClN3O3/c1-30-18-10-8-17(9-11-18)25-21(28)14-27-20-12-7-16(24)13-19(20)22(26-23(27)29)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,25,28)
InChIKeyWQXNPXXUCHHKHQ-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.36
Rot. Bonds5

About 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide

2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 16875842) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID16875842
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C23H18ClN3O3/c1-30-18-10-8-17(9-11-18)25-21(28)14-27-20-12-7-16(24)13-19(20)22(26-23(27)29)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,25,28)
InChIKeyWQXNPXXUCHHKHQ-UHFFFAOYSA-N
XLogP4.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide (CID 16875842) is 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is WQXNPXXUCHHKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-30-18-10-8-17(9-11-18)25-21(28)14-27-20-12-7-16(24)13-19(20)22(26-23(27)29)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide?
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 419.87 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16875842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).