[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate

C17H15ClF3N3O3 — CID 146506270

IUPAC[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(NC1CCN(OC(=O)C(F)(F)F)CC1)c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C17H15ClF3N3O3/c18-11-2-4-13-10(9-11)1-3-14(23-13)15(25)22-12-5-7-24(8-6-12)27-16(26)17(19,20)21/h1-4,9,12H,5-8H2,(H,22,25)
InChIKeyPGZFCIZHUXEJBL-UHFFFAOYSA-N
MW401.77 g/mol
LogP3.10
Rot. Bonds3

About [4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate

[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 146506270) has the molecular formula C17H15ClF3N3O3 and a molecular weight of 401.77 g/mol. Its IUPAC name is [4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID146506270
Molecular FormulaC17H15ClF3N3O3
Molecular Weight401.77 g/mol
Exact Mass401.08
IUPAC Name[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(NC1CCN(OC(=O)C(F)(F)F)CC1)c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C17H15ClF3N3O3/c18-11-2-4-13-10(9-11)1-3-14(23-13)15(25)22-12-5-7-24(8-6-12)27-16(26)17(19,20)21/h1-4,9,12H,5-8H2,(H,22,25)
InChIKeyPGZFCIZHUXEJBL-UHFFFAOYSA-N
XLogP3.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 139512502
[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506265
6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide
CID 139517687
N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide
CID 155391375
6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide
CID 158469591
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide
CID 138678465
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
CID 146458048
[1-(6-chloroquinoline-2-carbonyl)pyrrolidin-3-yl]methylcarbamoyl 2,2,2-trifluoroacetate
CID 155069125
tert-butyl N-[[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl]carbamate
CID 155741710
N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997661
6-chloro-N-[4-[3-(4-chloro-3-fluorophenoxy)propylamino]piperidin-1-yl]quinoline-2-carboxamide
CID 166828255

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate (CID 146506270) is [4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate is O=C(NC1CCN(OC(=O)C(F)(F)F)CC1)c1ccc2cc(Cl)ccc2n1.
What is the InChIKey of [4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is PGZFCIZHUXEJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O3/c18-11-2-4-13-10(9-11)1-3-14(23-13)15(25)22-12-5-7-24(8-6-12)27-16(26)17(19,20)21/h1-4,9,12H,5-8H2,(H,22,25).
What are the key properties of [4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 401.77 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 146506270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).