4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide

C25H19Cl2FN2O3 — CID 11352208

IUPAC4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(Cl)cc3F)c2cc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C25H19Cl2FN2O3/c1-32-24-14-21-18(22(9-11-29-21)33-23-7-6-17(27)12-20(23)28)13-19(24)25(31)30-10-8-15-2-4-16(26)5-3-15/h2-7,9,11-14H,8,10H2,1H3,(H,30,31)
InChIKeyQUHOGYLONQDFDS-UHFFFAOYSA-N
MW485.34 g/mol
LogP6.45
Rot. Bonds7

About 4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide

4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide (PubChem CID 11352208) has the molecular formula C25H19Cl2FN2O3 and a molecular weight of 485.34 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide
PubChem CID11352208
Molecular FormulaC25H19Cl2FN2O3
Molecular Weight485.34 g/mol
Exact Mass484.08
IUPAC Name4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(Cl)cc3F)c2cc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C25H19Cl2FN2O3/c1-32-24-14-21-18(22(9-11-29-21)33-23-7-6-17(27)12-20(23)28)13-19(24)25(31)30-10-8-15-2-4-16(26)5-3-15/h2-7,9,11-14H,8,10H2,1H3,(H,30,31)
InChIKeyQUHOGYLONQDFDS-UHFFFAOYSA-N
XLogP6.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.34
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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CID 52940860
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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide (CID 11352208) is 4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(Cl)cc3F)c2cc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide?
The InChIKey is QUHOGYLONQDFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2FN2O3/c1-32-24-14-21-18(22(9-11-29-21)33-23-7-6-17(27)12-20(23)28)13-19(24)25(31)30-10-8-15-2-4-16(26)5-3-15/h2-7,9,11-14H,8,10H2,1H3,(H,30,31).
What are the key properties of 4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide?
4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide has a molecular weight of 485.34 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenoxy)-N-[2-(4-chlorophenyl)ethyl]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 11352208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).