N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide

C20H13Cl3N4O2S — CID 38858279

About N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 38858279) has the molecular formula C20H13Cl3N4O2S and a molecular weight of 479.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 38858279
• Molecular Formula: C20H13Cl3N4O2S
• Molecular Weight: 479.78 g/mol
• Exact Mass: 477.98
• IUPAC Name: N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)N(c1cccc(Cl)c1)c1nc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cs1
• InChI: InChI=1S/C20H13Cl3N4O2S/c1-11(28)27(15-4-2-3-12(21)5-15)20-25-14(9-30-20)8-26-10-24-18-16(19(26)29)6-13(22)7-17(18)23/h2-7,9-10H,8H2,1H3
• InChIKey: VMRXCJDRIJETEG-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 68.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.78
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 38858279) is N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1cccc(Cl)c1)c1nc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cs1.

What is the InChIKey of N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is VMRXCJDRIJETEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N4O2S/c1-11(28)27(15-4-2-3-12(21)5-15)20-25-14(9-30-20)8-26-10-24-18-16(19(26)29)6-13(22)7-17(18)23/h2-7,9-10H,8H2,1H3.

What are the key properties of N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?

N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 479.78 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 38858279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).