4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide

C15H8F3N3O2 — CID 174954795

IUPAC4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide
SMILESNC(=O)c1nn(-c2c(F)cc(F)cc2F)c2ccccc2c1=O
InChIInChI=1S/C15H8F3N3O2/c16-7-5-9(17)13(10(18)6-7)21-11-4-2-1-3-8(11)14(22)12(20-21)15(19)23/h1-6H,(H2,19,23)
InChIKeyOBEDDCYTHHWMHN-UHFFFAOYSA-N
MW319.24 g/mol
LogP1.90
Rot. Bonds2

About 4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide

4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide (PubChem CID 174954795) has the molecular formula C15H8F3N3O2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide
PubChem CID174954795
Molecular FormulaC15H8F3N3O2
Molecular Weight319.24 g/mol
Exact Mass319.06
IUPAC Name4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide
SMILESNC(=O)c1nn(-c2c(F)cc(F)cc2F)c2ccccc2c1=O
InChIInChI=1S/C15H8F3N3O2/c16-7-5-9(17)13(10(18)6-7)21-11-4-2-1-3-8(11)14(22)12(20-21)15(19)23/h1-6H,(H2,19,23)
InChIKeyOBEDDCYTHHWMHN-UHFFFAOYSA-N
XLogP1.90
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinone
CID 4271806
1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]cinnoline-3-carboxamide
CID 57391921
1-[(4-fluorophenyl)methyl]-N-hydroxy-4-oxoquinoline-3-carboxamide
CID 156012658
6-Fluoro-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 24747005
1-[(4-Fluorophenyl)methyl]cinnolin-4-one
CID 8169271
4-(4-fluorobenzoyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 2834127
2-(2,4-difluorophenyl)-6-fluoro-1H-quinolin-4-one
CID 9547819
6-Fluoro-4-hydroxy-quinoline-3-carboxylic acid phenethyl-amide
CID 3217692
2-(2,4-difluorophenyl)-1H-quinolin-4-one
CID 9547816
8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127052404
1-Ethyl-7-fluoro-4-oxo-quinoline-3-carboxamide
CID 478765
7-fluoro-2-(3-fluorophenyl)-1H-quinolin-4-one
CID 9547815

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide?
The IUPAC name of 4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide (CID 174954795) is 4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide is NC(=O)c1nn(-c2c(F)cc(F)cc2F)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide?
The InChIKey is OBEDDCYTHHWMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O2/c16-7-5-9(17)13(10(18)6-7)21-11-4-2-1-3-8(11)14(22)12(20-21)15(19)23/h1-6H,(H2,19,23).
What are the key properties of 4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide?
4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide has a molecular weight of 319.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide is sourced from PubChem (CID 174954795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).