2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide

C22H17BrN4O2 — CID 164620665

IUPAC2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H17BrN4O2/c23-16-10-12-17(13-11-16)24-14-20(28)26-27-21(15-6-2-1-3-7-15)25-19-9-5-4-8-18(19)22(27)29/h1-13,24H,14H2,(H,26,28)
InChIKeyTZCPOORACYSTLZ-UHFFFAOYSA-N
MW449.31 g/mol
LogP4.01
Rot. Bonds5

About 2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide

2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide (PubChem CID 164620665) has the molecular formula C22H17BrN4O2 and a molecular weight of 449.31 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
PubChem CID164620665
Molecular FormulaC22H17BrN4O2
Molecular Weight449.31 g/mol
Exact Mass448.05
IUPAC Name2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H17BrN4O2/c23-16-10-12-17(13-11-16)24-14-20(28)26-27-21(15-6-2-1-3-7-15)25-19-9-5-4-8-18(19)22(27)29/h1-13,24H,14H2,(H,26,28)
InChIKeyTZCPOORACYSTLZ-UHFFFAOYSA-N
XLogP4.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.31
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide (CID 164620665) is 2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide is O=C(CNc1ccc(Br)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
The InChIKey is TZCPOORACYSTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O2/c23-16-10-12-17(13-11-16)24-14-20(28)26-27-21(15-6-2-1-3-7-15)25-19-9-5-4-8-18(19)22(27)29/h1-13,24H,14H2,(H,26,28).
What are the key properties of 2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide has a molecular weight of 449.31 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide is sourced from PubChem (CID 164620665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).