N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide

C24H17ClN4O3S — CID 46925503

About N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 46925503) has the molecular formula C24H17ClN4O3S and a molecular weight of 476.95 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
• PubChem CID: 46925503
• Molecular Formula: C24H17ClN4O3S
• Molecular Weight: 476.95 g/mol
• Exact Mass: 476.07
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
• SMILES: O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1nc2ccccc2s1
• InChI: InChI=1S/C24H17ClN4O3S/c25-16-11-9-15(10-12-16)13-29-22(31)17-5-1-3-7-19(17)28(24(29)32)14-21(30)27-23-26-18-6-2-4-8-20(18)33-23/h1-12H,13-14H2,(H,26,27,30)
• InChIKey: JFMXNJFNUORQMP-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 85.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.95
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?

The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 46925503) is N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide.

What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?

The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide is O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1nc2ccccc2s1.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?

The InChIKey is JFMXNJFNUORQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O3S/c25-16-11-9-15(10-12-16)13-29-22(31)17-5-1-3-7-19(17)28(24(29)32)14-21(30)27-23-26-18-6-2-4-8-20(18)33-23/h1-12H,13-14H2,(H,26,27,30).

What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?

N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 476.95 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 46925503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).