5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide

C22H19F3N4O — CID 46205683

IUPAC5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cn1
InChIInChI=1S/C22H19F3N4O/c1-13-11-27-19(12-26-13)21(30)29-18-7-3-4-14-8-9-17(28-20(14)18)15-5-2-6-16(10-15)22(23,24)25/h2,5-6,8-12,18H,3-4,7H2,1H3,(H,29,30)
InChIKeyVTSJOACKYHNAQV-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.67
Rot. Bonds3

About 5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide

5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide (PubChem CID 46205683) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is 5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide
PubChem CID46205683
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cn1
InChIInChI=1S/C22H19F3N4O/c1-13-11-27-19(12-26-13)21(30)29-18-7-3-4-14-8-9-17(28-20(14)18)15-5-2-6-16(10-15)22(23,24)25/h2,5-6,8-12,18H,3-4,7H2,1H3,(H,29,30)
InChIKeyVTSJOACKYHNAQV-UHFFFAOYSA-N
XLogP4.67
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide (CID 46205683) is 5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NC2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cn1.
What is the InChIKey of 5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide?
The InChIKey is VTSJOACKYHNAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c1-13-11-27-19(12-26-13)21(30)29-18-7-3-4-14-8-9-17(28-20(14)18)15-5-2-6-16(10-15)22(23,24)25/h2,5-6,8-12,18H,3-4,7H2,1H3,(H,29,30).
What are the key properties of 5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide?
5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 46205683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).