5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one

C15H13N3O — CID 106513767

IUPAC5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one
SMILESCc1nc(-c2cnc3ccccc3c2)c(=O)[nH]c1C
InChIInChI=1S/C15H13N3O/c1-9-10(2)18-15(19)14(17-9)12-7-11-5-3-4-6-13(11)16-8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyAIQBHXRGDFRADO-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.60
Rot. Bonds1

About 5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one

5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one (PubChem CID 106513767) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one
PubChem CID106513767
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one
SMILESCc1nc(-c2cnc3ccccc3c2)c(=O)[nH]c1C
InChIInChI=1S/C15H13N3O/c1-9-10(2)18-15(19)14(17-9)12-7-11-5-3-4-6-13(11)16-8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyAIQBHXRGDFRADO-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-quinolin-3-yl-1H-pyridin-2-one
CID 83128882
3-(3-fluoro-6-methyl-2-pyridinyl)quinoline
CID 166386545
2-quinolin-3-yl-1H-pyrimidin-6-one
CID 112754148
3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106515481
2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one
CID 145260221
3-ethyl-6-methyl-5-(quinolin-3-ylamino)-1H-pyridin-2-one
CID 11623288
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
2-quinolin-3-ylpyridin-3-ol
CID 11074961
3-(5-phenyl-1H-imidazol-4-yl)quinoline
CID 50948318
7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50985638
3-pyridin-4-ylquinoline
CID 10081720
3-(1H-pyrazol-5-yl)quinoline
CID 22660698

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one?
The IUPAC name of 5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one (CID 106513767) is 5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one?
The canonical SMILES for 5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one is Cc1nc(-c2cnc3ccccc3c2)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one?
The InChIKey is AIQBHXRGDFRADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-9-10(2)18-15(19)14(17-9)12-7-11-5-3-4-6-13(11)16-8-12/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one?
5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one is sourced from PubChem (CID 106513767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).