2-quinolin-3-yl-1H-pyrimidin-6-one

C13H9N3O — CID 112754148

IUPAC2-quinolin-3-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cnc3ccccc3c2)[nH]1
InChIInChI=1S/C13H9N3O/c17-12-5-6-14-13(16-12)10-7-9-3-1-2-4-11(9)15-8-10/h1-8H,(H,14,16,17)
InChIKeyHOJRGILHTCOOSI-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.99
Rot. Bonds1

About 2-quinolin-3-yl-1H-pyrimidin-6-one

2-quinolin-3-yl-1H-pyrimidin-6-one (PubChem CID 112754148) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-quinolin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-quinolin-3-yl-1H-pyrimidin-6-one
PubChem CID112754148
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name2-quinolin-3-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cnc3ccccc3c2)[nH]1
InChIInChI=1S/C13H9N3O/c17-12-5-6-14-13(16-12)10-7-9-3-1-2-4-11(9)15-8-10/h1-8H,(H,14,16,17)
InChIKeyHOJRGILHTCOOSI-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-quinolin-3-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylphenyl)-1H-pyrimidin-6-one
CID 43654623
7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50985638
3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline
CID 141253791
3-pyridin-4-ylquinoline
CID 10081720
3-(1H-pyrazol-5-yl)quinoline
CID 22660698
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-(6-chloro-1H-benzimidazol-2-yl)quinoline
CID 141307841
5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one
CID 106513767
2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one
CID 82469493
(2-quinolin-3-ylpyrimidin-4-yl)methanamine
CID 112754156
3-[4-(bromomethyl)pyrimidin-2-yl]quinoline
CID 112754164
3-methyl-5-quinolin-3-yl-1H-pyridin-2-one
CID 83128882

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-quinolin-3-yl-1H-pyrimidin-6-one (CID 112754148) is 2-quinolin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-quinolin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-quinolin-3-yl-1H-pyrimidin-6-one is O=c1ccnc(-c2cnc3ccccc3c2)[nH]1.
What is the InChIKey of 2-quinolin-3-yl-1H-pyrimidin-6-one?
The InChIKey is HOJRGILHTCOOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-12-5-6-14-13(16-12)10-7-9-3-1-2-4-11(9)15-8-10/h1-8H,(H,14,16,17).
What are the key properties of 2-quinolin-3-yl-1H-pyrimidin-6-one?
2-quinolin-3-yl-1H-pyrimidin-6-one has a molecular weight of 223.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 112754148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).