2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide

C28H22FN3O3S — CID 50762613

About 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 50762613) has the molecular formula C28H22FN3O3S and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 50762613
• Molecular Formula: C28H22FN3O3S
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.14
• IUPAC Name: 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)cc1)NCc1cccs1
• InChI: InChI=1S/C28H22FN3O3S/c29-21-6-3-5-20(15-21)18-31-25-9-2-1-8-24(25)27(34)32(28(31)35)22-12-10-19(11-13-22)16-26(33)30-17-23-7-4-14-36-23/h1-15H,16-18H2,(H,30,33)
• InChIKey: QMSOCNRATQDBFY-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 73.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide (CID 50762613) is 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)cc1)NCc1cccs1.

What is the InChIKey of 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is QMSOCNRATQDBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN3O3S/c29-21-6-3-5-20(15-21)18-31-25-9-2-1-8-24(25)27(34)32(28(31)35)22-12-10-19(11-13-22)16-26(33)30-17-23-7-4-14-36-23/h1-15H,16-18H2,(H,30,33).

What are the key properties of 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide?

2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 499.57 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 50762613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).