pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone

C14H13N3O — CID 116598228

IUPACpyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESO=C(c1cnccn1)C1CCNc2ccccc21
InChIInChI=1S/C14H13N3O/c18-14(13-9-15-7-8-17-13)11-5-6-16-12-4-2-1-3-10(11)12/h1-4,7-9,11,16H,5-6H2
InChIKeyVIWPEOHUGVGONJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.26
Rot. Bonds2

About pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone

pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 116598228) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Namepyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID116598228
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Namepyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESO=C(c1cnccn1)C1CCNc2ccccc21
InChIInChI=1S/C14H13N3O/c18-14(13-9-15-7-8-17-13)11-5-6-16-12-4-2-1-3-10(11)12/h1-4,7-9,11,16H,5-6H2
InChIKeyVIWPEOHUGVGONJ-UHFFFAOYSA-N
XLogP2.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598164
(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598113
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598128
1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 116598213
(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598109
(3-bromo-2,6-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 106944119
2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
CID 107890284
pyrazin-2-yl(pyrrolidin-3-yl)methanone
CID 116568351
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633
(3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 103533053

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 116598228) is pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone is O=C(c1cnccn1)C1CCNc2ccccc21.
What is the InChIKey of pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is VIWPEOHUGVGONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14(13-9-15-7-8-17-13)11-5-6-16-12-4-2-1-3-10(11)12/h1-4,7-9,11,16H,5-6H2.
What are the key properties of pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 239.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 116598228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).