1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one

C25H31FN2O2 — CID 86299850

IUPAC1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
SMILESCC1CCN(CCCOc2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CC3)CC1
InChIInChI=1S/C25H31FN2O2/c1-19-11-14-27(15-12-19)13-2-16-30-23-9-5-21-6-10-25(29)28(24(21)17-23)18-20-3-7-22(26)8-4-20/h3-5,7-9,17,19H,2,6,10-16,18H2,1H3
InChIKeyJSTWQXORTRKSOW-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.81
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one

1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one (PubChem CID 86299850) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
PubChem CID86299850
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
SMILESCC1CCN(CCCOc2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CC3)CC1
InChIInChI=1S/C25H31FN2O2/c1-19-11-14-27(15-12-19)13-2-16-30-23-9-5-21-6-10-25(29)28(24(21)17-23)18-20-3-7-22(26)8-4-20/h3-5,7-9,17,19H,2,6,10-16,18H2,1H3
InChIKeyJSTWQXORTRKSOW-UHFFFAOYSA-N
XLogP4.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.81
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-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one (CID 86299850) is 1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one is CC1CCN(CCCOc2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CC3)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The InChIKey is JSTWQXORTRKSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-19-11-14-27(15-12-19)13-2-16-30-23-9-5-21-6-10-25(29)28(24(21)17-23)18-20-3-7-22(26)8-4-20/h3-5,7-9,17,19H,2,6,10-16,18H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one has a molecular weight of 410.53 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86299850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).