3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C20H15ClFN3O2 — CID 24520323

IUPAC3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C20H15ClFN3O2/c1-20(14-6-8-15(22)9-7-14)18(26)25(19(27)24-20)11-13-10-12-4-2-3-5-16(12)23-17(13)21/h2-10H,11H2,1H3,(H,24,27)
InChIKeyCXDUGSQSAVNNKD-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.99
Rot. Bonds3

About 3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 24520323) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID24520323
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C20H15ClFN3O2/c1-20(14-6-8-15(22)9-7-14)18(26)25(19(27)24-20)11-13-10-12-4-2-3-5-16(12)23-17(13)21/h2-10H,11H2,1H3,(H,24,27)
InChIKeyCXDUGSQSAVNNKD-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7594748
(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 29405208
3-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42982762
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 42952401
(5S)-5-(4-chlorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2577203
(5S)-3-[(2-fluorophenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595704
5-(4-fluorophenyl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 51259391
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 26685769
(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171098
1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 61237931
5-(2-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56520242

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 24520323) is 3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O.
What is the InChIKey of 3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is CXDUGSQSAVNNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c1-20(14-6-8-15(22)9-7-14)18(26)25(19(27)24-20)11-13-10-12-4-2-3-5-16(12)23-17(13)21/h2-10H,11H2,1H3,(H,24,27).
What are the key properties of 3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 383.81 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24520323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).