6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide

C24H22Cl2FN3O3 — CID 158469591

IUPAC6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)CN1CCC(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C24H22Cl2FN3O3/c25-16-2-6-22-15(11-16)1-5-23(29-22)24(32)28-17-7-9-30(10-8-17)13-18(31)14-33-19-3-4-20(26)21(27)12-19/h1-6,11-12,17H,7-10,13-14H2,(H,28,32)
InChIKeyHGEMIDJBABWYLA-UHFFFAOYSA-N
MW490.36 g/mol
LogP4.52
Rot. Bonds7

About 6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide

6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide (PubChem CID 158469591) has the molecular formula C24H22Cl2FN3O3 and a molecular weight of 490.36 g/mol. Its IUPAC name is 6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide
PubChem CID158469591
Molecular FormulaC24H22Cl2FN3O3
Molecular Weight490.36 g/mol
Exact Mass489.10
IUPAC Name6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)CN1CCC(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C24H22Cl2FN3O3/c25-16-2-6-22-15(11-16)1-5-23(29-22)24(32)28-17-7-9-30(10-8-17)13-18(31)14-33-19-3-4-20(26)21(27)12-19/h1-6,11-12,17H,7-10,13-14H2,(H,28,32)
InChIKeyHGEMIDJBABWYLA-UHFFFAOYSA-N
XLogP4.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide with MolForge

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Related Compounds

6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
CID 146458048
6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide
CID 138678465
6-chloro-N-[4-[3-(4-chloro-3-fluorophenoxy)propylamino]piperidin-1-yl]quinoline-2-carboxamide
CID 166828255
6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)propyl]pyrrolidin-3-yl]quinoline-2-carboxamide;1-[3-(4-chloro-3-fluorophenoxy)propyl]pyrrolidin-3-amine;6-chloroquinoline-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 161219976
6-chloro-N-[4-[(3S)-4-(4-chloro-3-fluorophenoxy)-3-hydroxybutyl]piperidin-1-yl]quinoline-2-carboxamide;sulfane
CID 163693863
[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506270
1-(4-chloro-3-fluorophenoxy)-3-[4-[(6-chloroquinolin-2-yl)methylamino]cyclohexyl]propan-2-one
CID 157133682
1-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]-4-(4-chloro-3-fluorophenyl)butan-1-one
CID 161385005
6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide
CID 139517687
tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 139512502
N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide
CID 155391375
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide (CID 158469591) is 6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide is O=C(COc1ccc(Cl)c(F)c1)CN1CCC(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide?
The InChIKey is HGEMIDJBABWYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN3O3/c25-16-2-6-22-15(11-16)1-5-23(29-22)24(32)28-17-7-9-30(10-8-17)13-18(31)14-33-19-3-4-20(26)21(27)12-19/h1-6,11-12,17H,7-10,13-14H2,(H,28,32).
What are the key properties of 6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide?
6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide has a molecular weight of 490.36 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide is sourced from PubChem (CID 158469591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).