3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C22H18FN3O2 — CID 86982252

IUPAC3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1Cc1ccc(F)c2cccnc12
InChIInChI=1S/C22H18FN3O2/c23-18-8-7-16(19-17(18)6-3-11-24-19)13-26-20(27)22(25-21(26)28)10-9-14-4-1-2-5-15(14)12-22/h1-8,11H,9-10,12-13H2,(H,25,28)
InChIKeyWUNDEQALNCFNQH-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.35
Rot. Bonds2

About 3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 86982252) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID86982252
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1Cc1ccc(F)c2cccnc12
InChIInChI=1S/C22H18FN3O2/c23-18-8-7-16(19-17(18)6-3-11-24-19)13-26-20(27)22(25-21(26)28)10-9-14-4-1-2-5-15(14)12-22/h1-8,11H,9-10,12-13H2,(H,25,28)
InChIKeyWUNDEQALNCFNQH-UHFFFAOYSA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 86982252) is 3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc3C2)C(=O)N1Cc1ccc(F)c2cccnc12.
What is the InChIKey of 3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is WUNDEQALNCFNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-18-8-7-16(19-17(18)6-3-11-24-19)13-26-20(27)22(25-21(26)28)10-9-14-4-1-2-5-15(14)12-22/h1-8,11H,9-10,12-13H2,(H,25,28).
What are the key properties of 3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 375.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 86982252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).