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

C23H23Cl2FN4O2 — CID 146458005

IUPAC6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide
SMILESO=C(NN1CCC(NCCOc2ccc(Cl)c(F)c2)CC1)c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C23H23Cl2FN4O2/c24-16-2-6-21-15(13-16)1-5-22(28-21)23(31)29-30-10-7-17(8-11-30)27-9-12-32-18-3-4-19(25)20(26)14-18/h1-6,13-14,17,27H,7-12H2,(H,29,31)
InChIKeyGJMIVKQVWAFEJP-UHFFFAOYSA-N
MW477.37 g/mol
LogP4.46
Rot. Bonds7

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

6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide (PubChem CID 146458005) has the molecular formula C23H23Cl2FN4O2 and a molecular weight of 477.37 g/mol. Its IUPAC name is 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide
PubChem CID146458005
Molecular FormulaC23H23Cl2FN4O2
Molecular Weight477.37 g/mol
Exact Mass476.12
IUPAC Name6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide
SMILESO=C(NN1CCC(NCCOc2ccc(Cl)c(F)c2)CC1)c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C23H23Cl2FN4O2/c24-16-2-6-21-15(13-16)1-5-22(28-21)23(31)29-30-10-7-17(8-11-30)27-9-12-32-18-3-4-19(25)20(26)14-18/h1-6,13-14,17,27H,7-12H2,(H,29,31)
InChIKeyGJMIVKQVWAFEJP-UHFFFAOYSA-N
XLogP4.46
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide (CID 146458005) is 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide is O=C(NN1CCC(NCCOc2ccc(Cl)c(F)c2)CC1)c1ccc2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide?
The InChIKey is GJMIVKQVWAFEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN4O2/c24-16-2-6-21-15(13-16)1-5-22(28-21)23(31)29-30-10-7-17(8-11-30)27-9-12-32-18-3-4-19(25)20(26)14-18/h1-6,13-14,17,27H,7-12H2,(H,29,31).
What are the key properties of 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide?
6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide has a molecular weight of 477.37 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]quinoline-2-carboxamide is sourced from PubChem (CID 146458005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).