1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

C21H20FN3O — CID 648799

IUPAC1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESCc1ccc2nc(N3CCN(Cc4ccc(F)cc4)C3=O)c(C)cc2c1
InChIInChI=1S/C21H20FN3O/c1-14-3-8-19-17(11-14)12-15(2)20(23-19)25-10-9-24(21(25)26)13-16-4-6-18(22)7-5-16/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyCPVONJSGORBXDB-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.43
Rot. Bonds3

About 1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (PubChem CID 648799) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
PubChem CID648799
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESCc1ccc2nc(N3CCN(Cc4ccc(F)cc4)C3=O)c(C)cc2c1
InChIInChI=1S/C21H20FN3O/c1-14-3-8-19-17(11-14)12-15(2)20(23-19)25-10-9-24(21(25)26)13-16-4-6-18(22)7-5-16/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyCPVONJSGORBXDB-UHFFFAOYSA-N
XLogP4.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylquipazine
CID 5013
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Cyclopentylpiperazin-1-yl)quinoline
CID 11337173
2-(4-Isopropyl-piperazin-1-yl)-quinoline
CID 11393294
7-Methyl-1,3-dihydro-imidazo[4,5-b]quinolin-2-one
CID 13936971
4,6-dimethyl-N-phenylquinolin-2-amine
CID 687170
6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-phenanthridine
CID 44286463
4-Ethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline
CID 44304233
(R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 46890347
N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide
CID 90655954

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (CID 648799) is 1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is Cc1ccc2nc(N3CCN(Cc4ccc(F)cc4)C3=O)c(C)cc2c1.
What is the InChIKey of 1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is CPVONJSGORBXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-3-8-19-17(11-14)12-15(2)20(23-19)25-10-9-24(21(25)26)13-16-4-6-18(22)7-5-16/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of 1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 349.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylquinolin-2-yl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 648799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).