2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one

C14H11N3O — CID 136769621

IUPAC2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc3cccnc23)cc(=O)[nH]1
InChIInChI=1S/C14H11N3O/c1-9-16-12(8-13(18)17-9)11-6-2-4-10-5-3-7-15-14(10)11/h2-8H,1H3,(H,16,17,18)
InChIKeyOOUYGYPFBHYRDO-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.29
Rot. Bonds1

About 2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one

2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one (PubChem CID 136769621) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one
PubChem CID136769621
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc3cccnc23)cc(=O)[nH]1
InChIInChI=1S/C14H11N3O/c1-9-16-12(8-13(18)17-9)11-6-2-4-10-5-3-7-15-14(10)11/h2-8H,1H3,(H,16,17,18)
InChIKeyOOUYGYPFBHYRDO-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-quinolin-8-yl-1H-pyrimidin-2-one
CID 106519681
4-(1-benzothiophen-7-yl)-2-methyl-1H-pyrimidin-6-one
CID 136769657
2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one
CID 136769639
8-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)quinoline
CID 169418235
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 137084101
8-pyridin-2-ylquinoline
CID 10982041
5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid
CID 122568161
mercury;8-phenylquinoline;hydrate
CID 174770535
8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 155603380
8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline
CID 81222122
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one (CID 136769621) is 2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one is Cc1nc(-c2cccc3cccnc23)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one?
The InChIKey is OOUYGYPFBHYRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-9-16-12(8-13(18)17-9)11-6-2-4-10-5-3-7-15-14(10)11/h2-8H,1H3,(H,16,17,18).
What are the key properties of 2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one?
2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).