4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

C20H17F3N2O4 — CID 54676573

IUPAC4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCOc1cccc2c1c(O)c(C(=O)N(C)c1cccc(C(F)(F)F)c1)c(=O)n2C
InChIInChI=1S/C20H17F3N2O4/c1-24(12-7-4-6-11(10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)8-5-9-14(15)29-3/h4-10,26H,1-3H3
InChIKeyHXGXBQZVUGFUTO-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.55
Rot. Bonds3

About 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 54676573) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID54676573
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCOc1cccc2c1c(O)c(C(=O)N(C)c1cccc(C(F)(F)F)c1)c(=O)n2C
InChIInChI=1S/C20H17F3N2O4/c1-24(12-7-4-6-11(10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)8-5-9-14(15)29-3/h4-10,26H,1-3H3
InChIKeyHXGXBQZVUGFUTO-UHFFFAOYSA-N
XLogP3.55
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
CID 54682588
4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide
CID 54688293
N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54732868
N-ethyl-4-hydroxy-5-methoxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54684693
5-[[4-[(5-chloro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)-ethylamino]phenyl]methoxy]-4-hydroxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 123388718
4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 54721949
N-(2,4-difluorophenyl)-N-ethyl-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 70122366
methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
CID 67387665
2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 87691894
5-methoxy-9-methyl-2-(trifluoromethyl)carbazole
CID 139447926
3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846
N-ethyl-4-hydroxy-5-iodo-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 90346178

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 54676573) is 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is COc1cccc2c1c(O)c(C(=O)N(C)c1cccc(C(F)(F)F)c1)c(=O)n2C.
What is the InChIKey of 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is HXGXBQZVUGFUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c1-24(12-7-4-6-11(10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)8-5-9-14(15)29-3/h4-10,26H,1-3H3.
What are the key properties of 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 54676573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).