5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide

C20H17FN4O — CID 109290679

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(N2CCCc3ccccc32)cn1
InChIInChI=1S/C20H17FN4O/c21-15-7-3-8-16(11-15)24-20(26)17-12-23-19(13-22-17)25-10-4-6-14-5-1-2-9-18(14)25/h1-3,5,7-9,11-13H,4,6,10H2,(H,24,26)
InChIKeyGTJJBLPVSQNARY-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.95
Rot. Bonds3

About 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide

5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 109290679) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
PubChem CID109290679
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(N2CCCc3ccccc32)cn1
InChIInChI=1S/C20H17FN4O/c21-15-7-3-8-16(11-15)24-20(26)17-12-23-19(13-22-17)25-10-4-6-14-5-1-2-9-18(14)25/h1-3,5,7-9,11-13H,4,6,10H2,(H,24,26)
InChIKeyGTJJBLPVSQNARY-UHFFFAOYSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109290660
5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290481
N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide
CID 109287476
5-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109290486
5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109290512
5-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109288653
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113016676
N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
CID 109127449
N-(3-acetamidophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219711
N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197942
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283260
N-(2,4-difluorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162499

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide (CID 109290679) is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide is O=C(Nc1cccc(F)c1)c1cnc(N2CCCc3ccccc32)cn1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is GTJJBLPVSQNARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-15-7-3-8-16(11-15)24-20(26)17-12-23-19(13-22-17)25-10-4-6-14-5-1-2-9-18(14)25/h1-3,5,7-9,11-13H,4,6,10H2,(H,24,26).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).