N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide

C26H27N5O4S — CID 163337566

About N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide

N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide (PubChem CID 163337566) has the molecular formula C26H27N5O4S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
• PubChem CID: 163337566
• Molecular Formula: C26H27N5O4S
• Molecular Weight: 505.60 g/mol
• Exact Mass: 505.18
• IUPAC Name: N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
• SMILES: O=C(CSC1=Nc2ccccc2C2=NC(=O)C(CC(=O)NCc3ccccc3)N12)NCC1CCCO1
• InChI: InChI=1S/C26H27N5O4S/c32-22(27-14-17-7-2-1-3-8-17)13-21-25(34)30-24-19-10-4-5-11-20(19)29-26(31(21)24)36-16-23(33)28-15-18-9-6-12-35-18/h1-5,7-8,10-11,18,21H,6,9,12-16H2,(H,27,32)(H,28,33)
• InChIKey: AUEDQRPEPZZDMQ-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 112.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.60
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

The IUPAC name of N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide (CID 163337566) is N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide.

What is the SMILES notation for N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

The canonical SMILES for N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide is O=C(CSC1=Nc2ccccc2C2=NC(=O)C(CC(=O)NCc3ccccc3)N12)NCC1CCCO1.

What is the InChIKey of N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

The InChIKey is AUEDQRPEPZZDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4S/c32-22(27-14-17-7-2-1-3-8-17)13-21-25(34)30-24-19-10-4-5-11-20(19)29-26(31(21)24)36-16-23(33)28-15-18-9-6-12-35-18/h1-5,7-8,10-11,18,21H,6,9,12-16H2,(H,27,32)(H,28,33).

What are the key properties of N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide has a molecular weight of 505.60 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide is sourced from PubChem (CID 163337566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).