1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one

C23H28FN3O — CID 155520690

IUPAC1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O/c24-20-8-10-21(11-9-20)26-17-15-25(16-18-26)13-3-4-14-27-22-6-2-1-5-19(22)7-12-23(27)28/h1-2,5-6,8-11H,3-4,7,12-18H2
InChIKeyNAMCEYQPZBJURY-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.71
Rot. Bonds6

About 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one

1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one (PubChem CID 155520690) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
PubChem CID155520690
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O/c24-20-8-10-21(11-9-20)26-17-15-25(16-18-26)13-3-4-14-27-22-6-2-1-5-19(22)7-12-23(27)28/h1-2,5-6,8-11H,3-4,7,12-18H2
InChIKeyNAMCEYQPZBJURY-UHFFFAOYSA-N
XLogP3.71
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one (CID 155520690) is 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one?
The InChIKey is NAMCEYQPZBJURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c24-20-8-10-21(11-9-20)26-17-15-25(16-18-26)13-3-4-14-27-22-6-2-1-5-19(22)7-12-23(27)28/h1-2,5-6,8-11H,3-4,7,12-18H2.
What are the key properties of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one?
1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one has a molecular weight of 381.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 155520690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).