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

C27H29N5O4S — CID 156610968

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

2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(2-phenylethyl)acetamide (PubChem CID 156610968) has the molecular formula C27H29N5O4S and a molecular weight of 519.63 g/mol. Its IUPAC name is 2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(2-phenylethyl)acetamide
• PubChem CID: 156610968
• Molecular Formula: C27H29N5O4S
• Molecular Weight: 519.63 g/mol
• Exact Mass: 519.19
• IUPAC Name: 2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(2-phenylethyl)acetamide
• SMILES: O=C(CSC1=Nc2ccccc2C2=NC(=O)C(CC(=O)NCCc3ccccc3)N12)NCC1CCCO1
• InChI: InChI=1S/C27H29N5O4S/c33-23(28-13-12-18-7-2-1-3-8-18)15-22-26(35)31-25-20-10-4-5-11-21(20)30-27(32(22)25)37-17-24(34)29-16-19-9-6-14-36-19/h1-5,7-8,10-11,19,22H,6,9,12-17H2,(H,28,33)(H,29,34)
• InChIKey: MZHWVTFVNWJVQS-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 112.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.63
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(2-phenylethyl)acetamide (CID 156610968) is 2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(2-phenylethyl)acetamide.

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

The canonical SMILES for 2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(2-phenylethyl)acetamide is O=C(CSC1=Nc2ccccc2C2=NC(=O)C(CC(=O)NCCc3ccccc3)N12)NCC1CCCO1.

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

The InChIKey is MZHWVTFVNWJVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4S/c33-23(28-13-12-18-7-2-1-3-8-18)15-22-26(35)31-25-20-10-4-5-11-21(20)30-27(32(22)25)37-17-24(34)29-16-19-9-6-14-36-19/h1-5,7-8,10-11,19,22H,6,9,12-17H2,(H,28,33)(H,29,34).

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

2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 519.63 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 156610968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).