1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide

C23H23FN4O3 — CID 78902280

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C23H23FN4O3/c1-14-22(15(2)28(27-14)18-6-4-17(24)5-7-18)23(30)25-11-12-31-19-8-9-20-16(13-19)3-10-21(29)26-20/h4-9,13H,3,10-12H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyRDMKBUHCWPBZLB-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.32
Rot. Bonds6

About 1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide (PubChem CID 78902280) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide
PubChem CID78902280
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C23H23FN4O3/c1-14-22(15(2)28(27-14)18-6-4-17(24)5-7-18)23(30)25-11-12-31-19-8-9-20-16(13-19)3-10-21(29)26-20/h4-9,13H,3,10-12H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyRDMKBUHCWPBZLB-UHFFFAOYSA-N
XLogP3.32
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.32
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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Related Compounds

N-[2-(2,6-dimethylphenoxy)ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55717023
2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78892140
3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891632
5-(4-fluorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]thiophene-2-carboxamide
CID 78891974
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119502383
5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide
CID 78891960
2-[(4-fluorophenyl)methoxy]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891950
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111230362
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide
CID 78892117
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide (CID 78902280) is 1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide?
The InChIKey is RDMKBUHCWPBZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-14-22(15(2)28(27-14)18-6-4-17(24)5-7-18)23(30)25-11-12-31-19-8-9-20-16(13-19)3-10-21(29)26-20/h4-9,13H,3,10-12H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78902280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).