[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate

C18H19ClN2O3 — CID 55999990

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2ccc3nc(Cl)ccc3c2)CC1
InChIInChI=1S/C18H19ClN2O3/c1-12-6-8-21(9-7-12)17(22)11-24-18(23)14-2-4-15-13(10-14)3-5-16(19)20-15/h2-5,10,12H,6-9,11H2,1H3
InChIKeyZSXXLPCKNNBCRM-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.30
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate (PubChem CID 55999990) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
PubChem CID55999990
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2ccc3nc(Cl)ccc3c2)CC1
InChIInChI=1S/C18H19ClN2O3/c1-12-6-8-21(9-7-12)17(22)11-24-18(23)14-2-4-15-13(10-14)3-5-16(19)20-15/h2-5,10,12H,6-9,11H2,1H3
InChIKeyZSXXLPCKNNBCRM-UHFFFAOYSA-N
XLogP3.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998394
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730088
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55999168
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2370489
[2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998119
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate
CID 2387369
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2430465
cyanomethyl 2-chloroquinoline-6-carboxylate
CID 55730303
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-cyanobenzoate
CID 2380096
[2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730169
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753277
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CID 7848816

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate (CID 55999990) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate is CC1CCN(C(=O)COC(=O)c2ccc3nc(Cl)ccc3c2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The InChIKey is ZSXXLPCKNNBCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-6-8-21(9-7-12)17(22)11-24-18(23)14-2-4-15-13(10-14)3-5-16(19)20-15/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate has a molecular weight of 346.81 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate is sourced from PubChem (CID 55999990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).