5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide

C24H19ClN4O3S — CID 136959707

About 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide (PubChem CID 136959707) has the molecular formula C24H19ClN4O3S and a molecular weight of 478.96 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide
• PubChem CID: 136959707
• Molecular Formula: C24H19ClN4O3S
• Molecular Weight: 478.96 g/mol
• Exact Mass: 478.09
• IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide
• SMILES: CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(-c2nc3ccccc3s2)o1
• InChI: InChI=1S/C24H19ClN4O3S/c1-2-11-29(13-21-26-17-12-14(25)7-8-15(17)22(30)28-21)24(31)19-10-9-18(32-19)23-27-16-5-3-4-6-20(16)33-23/h3-10,12H,2,11,13H2,1H3,(H,26,28,30)
• InChIKey: NNMRDJBPPGRJBL-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.96
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide?

The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide (CID 136959707) is 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide.

What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide?

The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide is CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(-c2nc3ccccc3s2)o1.

What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide?

The InChIKey is NNMRDJBPPGRJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3S/c1-2-11-29(13-21-26-17-12-14(25)7-8-15(17)22(30)28-21)24(31)19-10-9-18(32-19)23-27-16-5-3-4-6-20(16)33-23/h3-10,12H,2,11,13H2,1H3,(H,26,28,30).

What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide?

5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide has a molecular weight of 478.96 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 136959707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).