4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide

C17H16F3N3O — CID 46382952

IUPAC4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C17H16F3N3O/c1-22-9-10-23(15-8-3-2-7-14(15)22)16(24)21-13-6-4-5-12(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,24)
InChIKeyIOUOFCQIMVNCJH-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.19
Rot. Bonds1

About 4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide

4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide (PubChem CID 46382952) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide
PubChem CID46382952
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C17H16F3N3O/c1-22-9-10-23(15-8-3-2-7-14(15)22)16(24)21-13-6-4-5-12(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,24)
InChIKeyIOUOFCQIMVNCJH-UHFFFAOYSA-N
XLogP4.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 46382930
1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
CID 54030708
1-methyl-N-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 53233342
(2S)-2-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682537
4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 116656087
N-(2-fluorophenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 46382953
2-acetyl-N-[3-(trifluoromethyl)phenyl]diazinane-1-carboxamide
CID 139071679
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide (CID 46382952) is 4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide is CN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide?
The InChIKey is IOUOFCQIMVNCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-22-9-10-23(15-8-3-2-7-14(15)22)16(24)21-13-6-4-5-12(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,24).
What are the key properties of 4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide?
4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 46382952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).