1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid

C24H20F3N3O5 — CID 90016163

IUPAC1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCc1c(Cn2c(=O)c(C(=O)O)cn(-c3ccc4c(c3)CCC(=O)N4C)c2=O)cccc1C(F)(F)F
InChIInChI=1S/C24H20F3N3O5/c1-13-15(4-3-5-18(13)24(25,26)27)11-30-21(32)17(22(33)34)12-29(23(30)35)16-7-8-19-14(10-16)6-9-20(31)28(19)2/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,33,34)
InChIKeySTXLZCGBHQTRFW-UHFFFAOYSA-N
MW487.43 g/mol
LogP2.98
Rot. Bonds4

About 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid

1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 90016163) has the molecular formula C24H20F3N3O5 and a molecular weight of 487.43 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID90016163
Molecular FormulaC24H20F3N3O5
Molecular Weight487.43 g/mol
Exact Mass487.14
IUPAC Name1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCc1c(Cn2c(=O)c(C(=O)O)cn(-c3ccc4c(c3)CCC(=O)N4C)c2=O)cccc1C(F)(F)F
InChIInChI=1S/C24H20F3N3O5/c1-13-15(4-3-5-18(13)24(25,26)27)11-30-21(32)17(22(33)34)12-29(23(30)35)16-7-8-19-14(10-16)6-9-20(31)28(19)2/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,33,34)
InChIKeySTXLZCGBHQTRFW-UHFFFAOYSA-N
XLogP2.98
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,3-diazinane-5-carboxylate
CID 131709354
1-[3-Fluoro-1-methyl-2-oxo-3-(trifluoromethyl)indol-5-yl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1,3-diazinane-5-carboxylic acid
CID 131709449
1-(1-Methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1,3-diazinane-5-carboxylic acid
CID 131709460
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,3-diazinane-5-carboxylic acid
CID 131709461
3-[[2-Methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-diazinane-5-carboxylic acid
CID 131709465
1-(1'-Methyl-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1,3-diazinane-5-carboxylic acid
CID 131709472
1-[2-Methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 118064979
1-[4-[Methoxycarbonyl(methyl)amino]phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 118065114
1-[4-(Methoxycarbonylamino)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 118065146
3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrimidine-5-carboxylic acid
CID 118069884
1-[3-Methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 118069995
3-[2-methyl-3-(trifluoromethyl)benzyl]-2,4-dioxo-1-(1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 118070246

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid (CID 90016163) is 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid is Cc1c(Cn2c(=O)c(C(=O)O)cn(-c3ccc4c(c3)CCC(=O)N4C)c2=O)cccc1C(F)(F)F.
What is the InChIKey of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is STXLZCGBHQTRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O5/c1-13-15(4-3-5-18(13)24(25,26)27)11-30-21(32)17(22(33)34)12-29(23(30)35)16-7-8-19-14(10-16)6-9-20(31)28(19)2/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,33,34).
What are the key properties of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 487.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 90016163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).