[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate

C22H28FN3O4 — CID 67317517

IUPAC[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate
SMILESO=C(NCC1(F)COC1)Oc1ccc2cc(OCCCN3CCCCC3)ccc2n1
InChIInChI=1S/C22H28FN3O4/c23-22(15-28-16-22)14-24-21(27)30-20-8-5-17-13-18(6-7-19(17)25-20)29-12-4-11-26-9-2-1-3-10-26/h5-8,13H,1-4,9-12,14-16H2,(H,24,27)
InChIKeyQIMJHPXPARNCDV-UHFFFAOYSA-N
MW417.48 g/mol
LogP3.32
Rot. Bonds8

About [6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate

[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate (PubChem CID 67317517) has the molecular formula C22H28FN3O4 and a molecular weight of 417.48 g/mol. Its IUPAC name is [6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate.

Molecular Properties

Compound Name[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate
PubChem CID67317517
Molecular FormulaC22H28FN3O4
Molecular Weight417.48 g/mol
Exact Mass417.21
IUPAC Name[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate
SMILESO=C(NCC1(F)COC1)Oc1ccc2cc(OCCCN3CCCCC3)ccc2n1
InChIInChI=1S/C22H28FN3O4/c23-22(15-28-16-22)14-24-21(27)30-20-8-5-17-13-18(6-7-19(17)25-20)29-12-4-11-26-9-2-1-3-10-26/h5-8,13H,1-4,9-12,14-16H2,(H,24,27)
InChIKeyQIMJHPXPARNCDV-UHFFFAOYSA-N
XLogP3.32
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11516523
2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
CID 122585506
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
(1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11539264
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
2-(2-piperidin-1-ylethoxy)quinolin-6-amine
CID 61104220
N-ethyl-6-(3-piperidin-1-ylpropoxy)-N-propan-2-ylnaphthalene-2-carboxamide
CID 69066079
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
N'-[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]butanediamide
CID 151573426
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N-propylcarbamate
CID 66810506
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364

Frequently Asked Questions

What is the IUPAC name of [6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate?
The IUPAC name of [6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate (CID 67317517) is [6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate.
What is the SMILES notation for [6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate?
The canonical SMILES for [6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate is O=C(NCC1(F)COC1)Oc1ccc2cc(OCCCN3CCCCC3)ccc2n1.
What is the InChIKey of [6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate?
The InChIKey is QIMJHPXPARNCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4/c23-22(15-28-16-22)14-24-21(27)30-20-8-5-17-13-18(6-7-19(17)25-20)29-12-4-11-26-9-2-1-3-10-26/h5-8,13H,1-4,9-12,14-16H2,(H,24,27).
What are the key properties of [6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate?
[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate has a molecular weight of 417.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate is sourced from PubChem (CID 67317517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).