N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide

C26H29FN4O3 — CID 118956776

About N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide

N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 118956776) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 118956776
• Molecular Formula: C26H29FN4O3
• Molecular Weight: 464.54 g/mol
• Exact Mass: 464.22
• IUPAC Name: N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide
• SMILES: C[C@@H](C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)NC2(CCN(C)c3ccccc32)C1=O
• InChI: InChI=1S/C26H29FN4O3/c1-17(19-9-10-19)30(15-18-7-11-20(27)12-8-18)23(32)16-31-24(33)26(28-25(31)34)13-14-29(2)22-6-4-3-5-21(22)26/h3-8,11-12,17,19H,9-10,13-16H2,1-2H3,(H,28,34)/t17-,26?/m0/s1
• InChIKey: WDZXUHOTTUYFKQ-WFFHQLTOSA-N
• XLogP: 3.24
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.54
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide (CID 118956776) is N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide.

What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide?

The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide is C[C@@H](C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)NC2(CCN(C)c3ccccc32)C1=O.

What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide?

The InChIKey is WDZXUHOTTUYFKQ-WFFHQLTOSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-17(19-9-10-19)30(15-18-7-11-20(27)12-8-18)23(32)16-31-24(33)26(28-25(31)34)13-14-29(2)22-6-4-3-5-21(22)26/h3-8,11-12,17,19H,9-10,13-16H2,1-2H3,(H,28,34)/t17-,26?/m0/s1.

What are the key properties of N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide?

N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 464.54 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 118956776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).