2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C19H18F3N3O3 — CID 78892140

IUPAC2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H18F3N3O3/c1-11-14(4-6-16(24-11)19(20,21)22)18(27)23-8-9-28-13-3-5-15-12(10-13)2-7-17(26)25-15/h3-6,10H,2,7-9H2,1H3,(H,23,27)(H,25,26)
InChIKeyPIGWMYJNVQOIGN-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.10
Rot. Bonds5

About 2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 78892140) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID78892140
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H18F3N3O3/c1-11-14(4-6-16(24-11)19(20,21)22)18(27)23-8-9-28-13-3-5-15-12(10-13)2-7-17(26)25-15/h3-6,10H,2,7-9H2,1H3,(H,23,27)(H,25,26)
InChIKeyPIGWMYJNVQOIGN-UHFFFAOYSA-N
XLogP3.10
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide
CID 78902280
3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891632
2-[(4-fluorophenyl)methoxy]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891950
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78902281
3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide
CID 78891639
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
CID 78891707
5-(4-fluorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]thiophene-2-carboxamide
CID 78891974
5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide
CID 78891960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 78892140) is 2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PIGWMYJNVQOIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-11-14(4-6-16(24-11)19(20,21)22)18(27)23-8-9-28-13-3-5-15-12(10-13)2-7-17(26)25-15/h3-6,10H,2,7-9H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 78892140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).