1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid

C12H10F3NO3 — CID 117209566

IUPAC1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid
SMILESCN1C(=O)CCc2c1ccc(C(=O)O)c2C(F)(F)F
InChIInChI=1S/C12H10F3NO3/c1-16-8-4-2-7(11(18)19)10(12(13,14)15)6(8)3-5-9(16)17/h2,4H,3,5H2,1H3,(H,18,19)
InChIKeyMVTZHBBCSQTIBB-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.31
Rot. Bonds1

About 1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid

1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 117209566) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID117209566
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid
SMILESCN1C(=O)CCc2c1ccc(C(=O)O)c2C(F)(F)F
InChIInChI=1S/C12H10F3NO3/c1-16-8-4-2-7(11(18)19)10(12(13,14)15)6(8)3-5-9(16)17/h2,4H,3,5H2,1H3,(H,18,19)
InChIKeyMVTZHBBCSQTIBB-UHFFFAOYSA-N
XLogP2.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 117209532
4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
CID 117209456
5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one
CID 117209554
5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 22413807
4-ethyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119023089
4-bromo-2-methyl-3-(trifluoromethyl)benzoic acid
CID 121344753
4-cyano-2,3-bis(trifluoromethyl)benzoic acid
CID 118815279
7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 117209612
6-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
CID 68935618
4-acetyl-2-(2,5-dioxopyrrolidin-1-yl)benzoic acid
CID 172794025
1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one
CID 134506749
1-methyl-4-(trifluoromethyl)-3H-indol-2-one
CID 57380795

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid (CID 117209566) is 1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid is CN1C(=O)CCc2c1ccc(C(=O)O)c2C(F)(F)F.
What is the InChIKey of 1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is MVTZHBBCSQTIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c1-16-8-4-2-7(11(18)19)10(12(13,14)15)6(8)3-5-9(16)17/h2,4H,3,5H2,1H3,(H,18,19).
What are the key properties of 1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid?
1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 273.21 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 117209566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).