N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide

C26H22FN5O4S — CID 5130240

About N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (PubChem CID 5130240) has the molecular formula C26H22FN5O4S and a molecular weight of 519.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
• PubChem CID: 5130240
• Molecular Formula: C26H22FN5O4S
• Molecular Weight: 519.56 g/mol
• Exact Mass: 519.14
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
• SMILES: O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N12)NCc1ccco1
• InChI: InChI=1S/C26H22FN5O4S/c27-17-9-7-16(8-10-17)13-28-22(33)12-21-25(35)32-24(30-21)19-5-1-2-6-20(19)31-26(32)37-15-23(34)29-14-18-4-3-11-36-18/h1-11,21H,12-15H2,(H,28,33)(H,29,34)
• InChIKey: LTGRRHCFFBAJAN-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 116.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.56
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (CID 5130240) is N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N12)NCc1ccco1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?

The InChIKey is LTGRRHCFFBAJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O4S/c27-17-9-7-16(8-10-17)13-28-22(33)12-21-25(35)32-24(30-21)19-5-1-2-6-20(19)31-26(32)37-15-23(34)29-14-18-4-3-11-36-18/h1-11,21H,12-15H2,(H,28,33)(H,29,34).

What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?

N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide has a molecular weight of 519.56 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is sourced from PubChem (CID 5130240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).