2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide

C24H21BrClN3O5 — CID 18887275

About 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide

2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (PubChem CID 18887275) has the molecular formula C24H21BrClN3O5 and a molecular weight of 546.81 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
• PubChem CID: 18887275
• Molecular Formula: C24H21BrClN3O5
• Molecular Weight: 546.81 g/mol
• Exact Mass: 545.04
• IUPAC Name: 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
• SMILES: COc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccc(Br)cc2)cc1OC
• InChI: InChI=1S/C24H21BrClN3O5/c1-32-20-10-3-14(11-21(20)33-2)23-27-19-9-6-16(26)12-18(19)24(31)29(23)28-22(30)13-34-17-7-4-15(25)5-8-17/h3-12,23,27H,13H2,1-2H3,(H,28,30)
• InChIKey: KREFXNWGAXBKRV-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 89.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.81
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?

The IUPAC name of 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (CID 18887275) is 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.

What is the SMILES notation for 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?

The canonical SMILES for 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is COc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccc(Br)cc2)cc1OC.

What is the InChIKey of 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?

The InChIKey is KREFXNWGAXBKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrClN3O5/c1-32-20-10-3-14(11-21(20)33-2)23-27-19-9-6-16(26)12-18(19)24(31)29(23)28-22(30)13-34-17-7-4-15(25)5-8-17/h3-12,23,27H,13H2,1-2H3,(H,28,30).

What are the key properties of 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?

2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide has a molecular weight of 546.81 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is sourced from PubChem (CID 18887275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).