6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one

C19H28N2O2 — CID 123840256

IUPAC6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CCN1CCC(Oc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C19H28N2O2/c1-14(2)7-10-21-11-8-16(9-12-21)23-17-4-5-18-15(13-17)3-6-19(22)20-18/h4-5,13-14,16H,3,6-12H2,1-2H3,(H,20,22)
InChIKeyFUIUJJJXMSTWMM-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.46
Rot. Bonds5

About 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one

6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 123840256) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID123840256
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CCN1CCC(Oc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C19H28N2O2/c1-14(2)7-10-21-11-8-16(9-12-21)23-17-4-5-18-15(13-17)3-6-19(22)20-18/h4-5,13-14,16H,3,6-12H2,1-2H3,(H,20,22)
InChIKeyFUIUJJJXMSTWMM-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 90014464
N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
CID 46888986
6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 93346628
N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
CID 46889013
6-[4-[4-(4-methylpentanoyl)piperazin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55922389
6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 13054218
6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 90054127
bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 70454211
7-(4-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 114940266
7-cycloheptyloxy-3,4-dihydro-1H-quinolin-2-one
CID 114940056
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one (CID 123840256) is 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one is CC(C)CCN1CCC(Oc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FUIUJJJXMSTWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(2)7-10-21-11-8-16(9-12-21)23-17-4-5-18-15(13-17)3-6-19(22)20-18/h4-5,13-14,16H,3,6-12H2,1-2H3,(H,20,22).
What are the key properties of 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 316.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 123840256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).