6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide

C24H24Cl2FN3O2 — CID 138678465

IUPAC6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide
SMILESO=C(NC1CCC(NCCOc2ccc(Cl)c(F)c2)CC1)c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C24H24Cl2FN3O2/c25-16-2-10-22-15(13-16)1-9-23(30-22)24(31)29-18-5-3-17(4-6-18)28-11-12-32-19-7-8-20(26)21(27)14-19/h1-2,7-10,13-14,17-18,28H,3-6,11-12H2,(H,29,31)
InChIKeyDCRPINRDYOWFHM-UHFFFAOYSA-N
MW476.38 g/mol
LogP5.39
Rot. Bonds7

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

6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide (PubChem CID 138678465) has the molecular formula C24H24Cl2FN3O2 and a molecular weight of 476.38 g/mol. Its IUPAC name is 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide
PubChem CID138678465
Molecular FormulaC24H24Cl2FN3O2
Molecular Weight476.38 g/mol
Exact Mass475.12
IUPAC Name6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide
SMILESO=C(NC1CCC(NCCOc2ccc(Cl)c(F)c2)CC1)c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C24H24Cl2FN3O2/c25-16-2-10-22-15(13-16)1-9-23(30-22)24(31)29-18-5-3-17(4-6-18)28-11-12-32-19-7-8-20(26)21(27)14-19/h1-2,7-10,13-14,17-18,28H,3-6,11-12H2,(H,29,31)
InChIKeyDCRPINRDYOWFHM-UHFFFAOYSA-N
XLogP5.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide with MolForge

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Related Compounds

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)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide
CID 158469591
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
CID 146458048
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
N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide
CID 155391375
1-(4-chloro-3-fluorophenoxy)-3-[4-[(6-chloroquinolin-2-yl)methylamino]cyclohexyl]propan-2-one
CID 157133682
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506270
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
6-chloro-N-[4-[(3S)-4-(4-chloro-3-fluorophenoxy)-3-hydroxybutyl]piperidin-1-yl]quinoline-2-carboxamide;sulfane
CID 163693863
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide (CID 138678465) is 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide is O=C(NC1CCC(NCCOc2ccc(Cl)c(F)c2)CC1)c1ccc2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide?
The InChIKey is DCRPINRDYOWFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2FN3O2/c25-16-2-10-22-15(13-16)1-9-23(30-22)24(31)29-18-5-3-17(4-6-18)28-11-12-32-19-7-8-20(26)21(27)14-19/h1-2,7-10,13-14,17-18,28H,3-6,11-12H2,(H,29,31).
What are the key properties of 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide?
6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide has a molecular weight of 476.38 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide is sourced from PubChem (CID 138678465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).