1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone

C16H13N3O — CID 105109033

IUPAC1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
SMILESCc1cnc(C(=O)Cc2ccnc3ccccc23)cn1
InChIInChI=1S/C16H13N3O/c1-11-9-19-15(10-18-11)16(20)8-12-6-7-17-14-5-3-2-4-13(12)14/h2-7,9-10H,8H2,1H3
InChIKeyGQPVVFVFIBKTTR-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.76
Rot. Bonds3

About 1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone

1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone (PubChem CID 105109033) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
PubChem CID105109033
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
SMILESCc1cnc(C(=O)Cc2ccnc3ccccc23)cn1
InChIInChI=1S/C16H13N3O/c1-11-9-19-15(10-18-11)16(20)8-12-6-7-17-14-5-3-2-4-13(12)14/h2-7,9-10H,8H2,1H3
InChIKeyGQPVVFVFIBKTTR-UHFFFAOYSA-N
XLogP2.76
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone
CID 11140584
2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079151
1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
CID 116581336
(5-methylpyrazin-2-yl)-[(3R)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124956263
1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone
CID 114979736
1-quinolin-4-ylbutan-2-one
CID 15695851
2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105091145
1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738
1-(2-iodophenyl)-2-quinolin-4-ylethanone
CID 114979720
1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
CID 114979659
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
CID 11380387
2-hydroxy-1-(5-methylpyrazin-2-yl)ethanone
CID 121394382

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone?
The IUPAC name of 1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone (CID 105109033) is 1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone is Cc1cnc(C(=O)Cc2ccnc3ccccc23)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone?
The InChIKey is GQPVVFVFIBKTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-9-19-15(10-18-11)16(20)8-12-6-7-17-14-5-3-2-4-13(12)14/h2-7,9-10H,8H2,1H3.
What are the key properties of 1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone?
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone has a molecular weight of 263.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone is sourced from PubChem (CID 105109033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).