N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide

C22H16BrN3O2 — CID 23995928

IUPACN-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O
InChIInChI=1S/C22H16BrN3O2/c23-17-12-10-16(11-13-17)21-24-19-9-5-4-8-18(19)22(28)26(21)25-20(27)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,27)
InChIKeyVHLINOLYANBYOP-UHFFFAOYSA-N
MW434.29 g/mol
LogP4.14
Rot. Bonds4

About N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide

N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide (PubChem CID 23995928) has the molecular formula C22H16BrN3O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
PubChem CID23995928
Molecular FormulaC22H16BrN3O2
Molecular Weight434.29 g/mol
Exact Mass433.04
IUPAC NameN-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O
InChIInChI=1S/C22H16BrN3O2/c23-17-12-10-16(11-13-17)21-24-19-9-5-4-8-18(19)22(28)26(21)25-20(27)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,27)
InChIKeyVHLINOLYANBYOP-UHFFFAOYSA-N
XLogP4.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide (CID 23995928) is N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The InChIKey is VHLINOLYANBYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O2/c23-17-12-10-16(11-13-17)21-24-19-9-5-4-8-18(19)22(28)26(21)25-20(27)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,27).
What are the key properties of N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide?
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide has a molecular weight of 434.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 23995928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).