N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide

C23H23N5O3S — CID 135415408

About N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide (PubChem CID 135415408) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide.

Molecular Properties

• Compound Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide
• PubChem CID: 135415408
• Molecular Formula: C23H23N5O3S
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.15
• IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide
• SMILES: CCc1ccc2nc(NC(=O)c3ccc4c(=O)[nH]c(CN5CCOCC5)nc4c3)sc2c1
• InChI: InChI=1S/C23H23N5O3S/c1-2-14-3-6-17-19(11-14)32-23(25-17)27-21(29)15-4-5-16-18(12-15)24-20(26-22(16)30)13-28-7-9-31-10-8-28/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,26,30)(H,25,27,29)
• InChIKey: OITDDRGMTMXSCY-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.54
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide?

The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide (CID 135415408) is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide.

What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide?

The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide is CCc1ccc2nc(NC(=O)c3ccc4c(=O)[nH]c(CN5CCOCC5)nc4c3)sc2c1.

What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide?

The InChIKey is OITDDRGMTMXSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-2-14-3-6-17-19(11-14)32-23(25-17)27-21(29)15-4-5-16-18(12-15)24-20(26-22(16)30)13-28-7-9-31-10-8-28/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,26,30)(H,25,27,29).

What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide?

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide is sourced from PubChem (CID 135415408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).