3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone

C20H17N3O — CID 171431136

IUPAC3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone
SMILESO=C(c1cncc(-c2ccccc2)n1)N1CCCc2ccccc21
InChIInChI=1S/C20H17N3O/c24-20(23-12-6-10-16-9-4-5-11-19(16)23)18-14-21-13-17(22-18)15-7-2-1-3-8-15/h1-5,7-9,11,13-14H,6,10,12H2
InChIKeyFUYIYONUSHVDKI-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.74
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone (PubChem CID 171431136) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone
PubChem CID171431136
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone
SMILESO=C(c1cncc(-c2ccccc2)n1)N1CCCc2ccccc21
InChIInChI=1S/C20H17N3O/c24-20(23-12-6-10-16-9-4-5-11-19(16)23)18-14-21-13-17(22-18)15-7-2-1-3-8-15/h1-5,7-9,11,13-14H,6,10,12H2
InChIKeyFUYIYONUSHVDKI-UHFFFAOYSA-N
XLogP3.74
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851301
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84573748
3,4-dihydro-2H-quinolin-1-yl-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573646
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
3,4-dihydro-2H-quinolin-1-yl-(8-hydroxyquinolin-2-yl)methanone
CID 46364191
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone (CID 171431136) is 3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone is O=C(c1cncc(-c2ccccc2)n1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone?
The InChIKey is FUYIYONUSHVDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20(23-12-6-10-16-9-4-5-11-19(16)23)18-14-21-13-17(22-18)15-7-2-1-3-8-15/h1-5,7-9,11,13-14H,6,10,12H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone is sourced from PubChem (CID 171431136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).