methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate

C20H16F3NO3 — CID 177224137

IUPACmethyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2c(C)ccc(C)c2c1=O
InChIInChI=1S/C20H16F3NO3/c1-11-4-5-12(2)17-16(11)18(25)15(19(26)27-3)10-24(17)14-8-6-13(7-9-14)20(21,22)23/h4-10H,1-3H3
InChIKeyJVVNZJCCZQUAKF-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.41
Rot. Bonds2

About methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate

methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate (PubChem CID 177224137) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate
PubChem CID177224137
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Namemethyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2c(C)ccc(C)c2c1=O
InChIInChI=1S/C20H16F3NO3/c1-11-4-5-12(2)17-16(11)18(25)15(19(26)27-3)10-24(17)14-8-6-13(7-9-14)20(21,22)23/h4-10H,1-3H3
InChIKeyJVVNZJCCZQUAKF-UHFFFAOYSA-N
XLogP4.41
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-oxo-2-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxylate
CID 177224176
methyl 5-bromo-4-oxo-1-[4-(trifluoromethoxy)phenyl]quinoline-3-carboxylate
CID 169148492
methyl 1-oxo-2-[4-(trifluoromethyl)phenyl]-3H-isoindole-4-carboxylate
CID 67992519
methyl 5-methyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
CID 56661570
ethyl 6,7,8-trifluoro-1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylate
CID 23359023
methyl 4-fluoro-7-methyl-1-[2-(trifluoromethoxy)ethyl]indole-3-carboxylate
CID 66973660
ethyl 5,8-difluoro-4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate
CID 68559575
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 107346344
methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate
CID 14554238
methyl 4-methyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydrobenzotriazole-5-carboxylate
CID 102436225
methyl 1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 24895075
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010

Frequently Asked Questions

What is the IUPAC name of methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate?
The IUPAC name of methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate (CID 177224137) is methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate.
What is the SMILES notation for methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate?
The canonical SMILES for methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate is COC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2c(C)ccc(C)c2c1=O.
What is the InChIKey of methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate?
The InChIKey is JVVNZJCCZQUAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3/c1-11-4-5-12(2)17-16(11)18(25)15(19(26)27-3)10-24(17)14-8-6-13(7-9-14)20(21,22)23/h4-10H,1-3H3.
What are the key properties of methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate?
methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate has a molecular weight of 375.35 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate is sourced from PubChem (CID 177224137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).