1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide

C18H13F3N2O3 — CID 138583118

IUPAC1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H13F3N2O3/c1-23-15-5-3-2-4-13(15)14(10-16(23)24)17(25)22-11-6-8-12(9-7-11)26-18(19,20)21/h2-10H,1H3,(H,22,25)
InChIKeyZTXIGSGHDAFTJZ-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.69
Rot. Bonds3

About 1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide

1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide (PubChem CID 138583118) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
PubChem CID138583118
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H13F3N2O3/c1-23-15-5-3-2-4-13(15)14(10-16(23)24)17(25)22-11-6-8-12(9-7-11)26-18(19,20)21/h2-10H,1H3,(H,22,25)
InChIKeyZTXIGSGHDAFTJZ-UHFFFAOYSA-N
XLogP3.69
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235
1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 55791000
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
1-methyl-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]quinoline-4-carboxamide
CID 55764150
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55786897
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55880912
4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
CID 39893097
1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide
CID 55920183

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide (CID 138583118) is 1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
The InChIKey is ZTXIGSGHDAFTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c1-23-15-5-3-2-4-13(15)14(10-16(23)24)17(25)22-11-6-8-12(9-7-11)26-18(19,20)21/h2-10H,1H3,(H,22,25).
What are the key properties of 1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 138583118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).