5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one

C22H26FN3O2 — CID 12899529

IUPAC5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2OCCCN2CCN(c3cccc(F)c3)CC2)N1
InChIInChI=1S/C22H26FN3O2/c23-17-4-1-5-18(16-17)26-13-11-25(12-14-26)10-3-15-28-21-7-2-6-20-19(21)8-9-22(27)24-20/h1-2,4-7,16H,3,8-15H2,(H,24,27)
InChIKeyVXOCGIOHXSKGEB-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.30
Rot. Bonds6

About 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one

5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12899529) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID12899529
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2OCCCN2CCN(c3cccc(F)c3)CC2)N1
InChIInChI=1S/C22H26FN3O2/c23-17-4-1-5-18(16-17)26-13-11-25(12-14-26)10-3-15-28-21-7-2-6-20-19(21)8-9-22(27)24-20/h1-2,4-7,16H,3,8-15H2,(H,24,27)
InChIKeyVXOCGIOHXSKGEB-UHFFFAOYSA-N
XLogP3.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Carteolol
CID 2583
Carteolol Hydrochloride
CID 40127
N-(3-(4-((4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)acetamide
CID 114904
Opc-14523
CID 9892540
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
Ucm1014
CID 121231413
Ketopiperazine-based inhibitor, 11
CID 11204336
Tetra-hydro-isoquinoline derivative 3
CID 137653313
7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10502413
4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethoxy]-7-fluoro-1,3-dihydro-indol-2-one
CID 10592220
7-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one
CID 10692886
1-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263304

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 12899529) is 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(cccc2OCCCN2CCN(c3cccc(F)c3)CC2)N1.
What is the InChIKey of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VXOCGIOHXSKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-17-4-1-5-18(16-17)26-13-11-25(12-14-26)10-3-15-28-21-7-2-6-20-19(21)8-9-22(27)24-20/h1-2,4-7,16H,3,8-15H2,(H,24,27).
What are the key properties of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 383.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12899529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).