6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide

C20H18ClFN2O2 — CID 36940176

IUPAC6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C20H18ClFN2O2/c1-13-18(12-14-11-15(21)3-8-19(14)23-13)20(25)24(2)9-10-26-17-6-4-16(22)5-7-17/h3-8,11-12H,9-10H2,1-2H3
InChIKeyHKUYJLQMNROKSN-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.49
Rot. Bonds5

About 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide

6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide (PubChem CID 36940176) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide
PubChem CID36940176
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C20H18ClFN2O2/c1-13-18(12-14-11-15(21)3-8-19(14)23-13)20(25)24(2)9-10-26-17-6-4-16(22)5-7-17/h3-8,11-12H,9-10H2,1-2H3
InChIKeyHKUYJLQMNROKSN-UHFFFAOYSA-N
XLogP4.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide (CID 36940176) is 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide?
The InChIKey is HKUYJLQMNROKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-13-18(12-14-11-15(21)3-8-19(14)23-13)20(25)24(2)9-10-26-17-6-4-16(22)5-7-17/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide?
6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide has a molecular weight of 372.83 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 36940176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).