4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide

C18H13F3N2O3 — CID 54676662

IUPAC4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)c(O)c2ccccc21
InChIInChI=1S/C18H13F3N2O3/c1-23-13-9-5-2-6-10(13)15(24)14(17(23)26)16(25)22-12-8-4-3-7-11(12)18(19,20)21/h2-9,24H,1H3,(H,22,25)
InChIKeyIETCOGWKPNHDCA-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.52
Rot. Bonds2

About 4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide

4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 54676662) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID54676662
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)c(O)c2ccccc21
InChIInChI=1S/C18H13F3N2O3/c1-23-13-9-5-2-6-10(13)15(24)14(17(23)26)16(25)22-12-8-4-3-7-11(12)18(19,20)21/h2-9,24H,1H3,(H,22,25)
InChIKeyIETCOGWKPNHDCA-UHFFFAOYSA-N
XLogP3.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-methyl-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
CID 54676685
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
1,4,6-trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860792
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
[4-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]phenyl] 2,2-dimethylpropanoate
CID 54717945
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 56684063
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
4-hydroxy-1-methyl-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 54687744
N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 123856404

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 54676662) is 4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide is Cn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is IETCOGWKPNHDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c1-23-13-9-5-2-6-10(13)15(24)14(17(23)26)16(25)22-12-8-4-3-7-11(12)18(19,20)21/h2-9,24H,1H3,(H,22,25).
What are the key properties of 4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 54676662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).