(2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide

C23H24FN3O2 — CID 110212463

About (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide

(2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide (PubChem CID 110212463) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide
• PubChem CID: 110212463
• Molecular Formula: C23H24FN3O2
• Molecular Weight: 393.46 g/mol
• Exact Mass: 393.19
• IUPAC Name: (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide
• SMILES: O=C1N[C@@]2(CC3CCC2CC3C(=O)NCc2ccccc2F)Nc2ccccc21
• InChI: InChI=1S/C23H24FN3O2/c24-19-7-3-1-5-15(19)13-25-21(28)18-11-16-10-9-14(18)12-23(16)26-20-8-4-2-6-17(20)22(29)27-23/h1-8,14,16,18,26H,9-13H2,(H,25,28)(H,27,29)/t14?,16?,18?,23-/m1/s1
• InChIKey: VXHNVMNYISSPBQ-UIIXSVTMSA-N
• XLogP: 3.43
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.46
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?

The IUPAC name of (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide (CID 110212463) is (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide.

What is the SMILES notation for (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?

The canonical SMILES for (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide is O=C1N[C@@]2(CC3CCC2CC3C(=O)NCc2ccccc2F)Nc2ccccc21.

What is the InChIKey of (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?

The InChIKey is VXHNVMNYISSPBQ-UIIXSVTMSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-19-7-3-1-5-15(19)13-25-21(28)18-11-16-10-9-14(18)12-23(16)26-20-8-4-2-6-17(20)22(29)27-23/h1-8,14,16,18,26H,9-13H2,(H,25,28)(H,27,29)/t14?,16?,18?,23-/m1/s1.

What are the key properties of (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?

(2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide is sourced from PubChem (CID 110212463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).