N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide

C19H17FN2O2 — CID 18119617

IUPACN-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1cccc2cccnc12
InChIInChI=1S/C19H17FN2O2/c1-22(12-13-24-16-9-7-15(20)8-10-16)19(23)17-6-2-4-14-5-3-11-21-18(14)17/h2-11H,12-13H2,1H3
InChIKeyKHZIMKBGMIBORA-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide (PubChem CID 18119617) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide
PubChem CID18119617
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1cccc2cccnc12
InChIInChI=1S/C19H17FN2O2/c1-22(12-13-24-16-9-7-15(20)8-10-16)19(23)17-6-2-4-14-5-3-11-21-18(14)17/h2-11H,12-13H2,1H3
InChIKeyKHZIMKBGMIBORA-UHFFFAOYSA-N
XLogP3.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119687
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 55754249
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
CID 122159861
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 134028048
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
CID 9205470

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide (CID 18119617) is N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide?
The InChIKey is KHZIMKBGMIBORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-22(12-13-24-16-9-7-15(20)8-10-16)19(23)17-6-2-4-14-5-3-11-21-18(14)17/h2-11H,12-13H2,1H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 18119617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).