6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one

C22H27FN2O2 — CID 46866441

IUPAC6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one
SMILESCCN(CC)CCCOc1ccc2c(c1)CCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-3-24(4-2)14-5-15-27-20-11-12-21-17(16-20)6-13-22(26)25(21)19-9-7-18(23)8-10-19/h7-12,16H,3-6,13-15H2,1-2H3
InChIKeyLUWJRAVMOSJOLG-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.55
Rot. Bonds8

About 6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one

6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one (PubChem CID 46866441) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one
PubChem CID46866441
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one
SMILESCCN(CC)CCCOc1ccc2c(c1)CCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-3-24(4-2)14-5-15-27-20-11-12-21-17(16-20)6-13-22(26)25(21)19-9-7-18(23)8-10-19/h7-12,16H,3-6,13-15H2,1-2H3
InChIKeyLUWJRAVMOSJOLG-UHFFFAOYSA-N
XLogP4.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.55
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 6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one (CID 46866441) is 6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one is CCN(CC)CCCOc1ccc2c(c1)CCC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one?
The InChIKey is LUWJRAVMOSJOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-3-24(4-2)14-5-15-27-20-11-12-21-17(16-20)6-13-22(26)25(21)19-9-7-18(23)8-10-19/h7-12,16H,3-6,13-15H2,1-2H3.
What are the key properties of 6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one?
6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one has a molecular weight of 370.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)propoxy]-1-(4-fluorophenyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 46866441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).