3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one

C13H8BrN3O — CID 66699840

IUPAC3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one
SMILESO=c1[nH]cc(-c2cccc3ncccc23)nc1Br
InChIInChI=1S/C13H8BrN3O/c14-12-13(18)16-7-11(17-12)9-3-1-5-10-8(9)4-2-6-15-10/h1-7H,(H,16,18)
InChIKeyIBRNQGDBSJDAED-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.75
Rot. Bonds1

About 3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one

3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one (PubChem CID 66699840) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one
PubChem CID66699840
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one
SMILESO=c1[nH]cc(-c2cccc3ncccc23)nc1Br
InChIInChI=1S/C13H8BrN3O/c14-12-13(18)16-7-11(17-12)9-3-1-5-10-8(9)4-2-6-15-10/h1-7H,(H,16,18)
InChIKeyIBRNQGDBSJDAED-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Aminoisoquinoline
CID 70766
6-Aminoquinoline
CID 11373
5-Methylquinoline
CID 24312
Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-
CID 148136
N-(quinolin-6-yl)-6-(sulfamoylamino)hexanamide
CID 25216938
N-quinolin-8-ylpropanamide
CID 2963713
Quinolin-3-ylmethanamine
CID 6483745
5-Acetylaminoquinoline
CID 162518
Quinolin-4-ylmethanamine
CID 12017326
3-Acetylaminoquinoline
CID 79448
Carbamic acid, (6-quinolylcarbamoyl)methyl ester
CID 235405
N1-propyl-N4-(5-isoquinolyl)-1,4-cyclohexanediamine
CID 9965608

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one?
The IUPAC name of 3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one (CID 66699840) is 3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one is O=c1[nH]cc(-c2cccc3ncccc23)nc1Br.
What is the InChIKey of 3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one?
The InChIKey is IBRNQGDBSJDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-12-13(18)16-7-11(17-12)9-3-1-5-10-8(9)4-2-6-15-10/h1-7H,(H,16,18).
What are the key properties of 3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one?
3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one has a molecular weight of 302.13 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one is sourced from PubChem (CID 66699840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).