4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one

C24H23FN6O — CID 71203903

IUPAC4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one
SMILESCn1cc(-c2ccc(F)cc2)nc1CCc1nc(N2CCNC(=O)C2)c2ccccc2n1
InChIInChI=1S/C24H23FN6O/c1-30-14-20(16-6-8-17(25)9-7-16)28-22(30)11-10-21-27-19-5-3-2-4-18(19)24(29-21)31-13-12-26-23(32)15-31/h2-9,14H,10-13,15H2,1H3,(H,26,32)
InChIKeyPSKIBHBXVKGACE-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.89
Rot. Bonds5

About 4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one

4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one (PubChem CID 71203903) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one
PubChem CID71203903
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one
SMILESCn1cc(-c2ccc(F)cc2)nc1CCc1nc(N2CCNC(=O)C2)c2ccccc2n1
InChIInChI=1S/C24H23FN6O/c1-30-14-20(16-6-8-17(25)9-7-16)28-22(30)11-10-21-27-19-5-3-2-4-18(19)24(29-21)31-13-12-26-23(32)15-31/h2-9,14H,10-13,15H2,1H3,(H,26,32)
InChIKeyPSKIBHBXVKGACE-UHFFFAOYSA-N
XLogP2.89
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one with MolForge

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Related Compounds

CID 89369738
CID 89369738
4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
CID 71203821
2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole
CID 71544109
2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
CID 71543741
ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate
CID 133345218
2-phenyl-7,8-dihydro-5H-imidazo[1,2-a]pyrazin-6-one
CID 155540781
6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide
CID 142784763
3-[(3-oxopiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 23120795
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one
CID 165414878
4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one
CID 167438901
4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
CID 26402764

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one?
The IUPAC name of 4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one (CID 71203903) is 4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one is Cn1cc(-c2ccc(F)cc2)nc1CCc1nc(N2CCNC(=O)C2)c2ccccc2n1.
What is the InChIKey of 4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one?
The InChIKey is PSKIBHBXVKGACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-30-14-20(16-6-8-17(25)9-7-16)28-22(30)11-10-21-27-19-5-3-2-4-18(19)24(29-21)31-13-12-26-23(32)15-31/h2-9,14H,10-13,15H2,1H3,(H,26,32).
What are the key properties of 4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one?
4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one has a molecular weight of 430.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one is sourced from PubChem (CID 71203903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).