5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one

C21H14Cl2N2O — CID 22185179

IUPAC5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one
SMILESCn1c(Cl)c(Cl)c(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O
InChIInChI=1S/C21H14Cl2N2O/c1-25-20(23)19(22)17(14-8-10-24-11-9-14)18(21(25)26)16-7-6-13-4-2-3-5-15(13)12-16/h2-12H,1H3
InChIKeyLOOPFQHHTVSUTA-UHFFFAOYSA-N
MW381.26 g/mol
LogP5.57
Rot. Bonds2

About 5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one

5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one (PubChem CID 22185179) has the molecular formula C21H14Cl2N2O and a molecular weight of 381.26 g/mol. Its IUPAC name is 5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one
PubChem CID22185179
Molecular FormulaC21H14Cl2N2O
Molecular Weight381.26 g/mol
Exact Mass380.05
IUPAC Name5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one
SMILESCn1c(Cl)c(Cl)c(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O
InChIInChI=1S/C21H14Cl2N2O/c1-25-20(23)19(22)17(14-8-10-24-11-9-14)18(21(25)26)16-7-6-13-4-2-3-5-15(13)12-16/h2-12H,1H3
InChIKeyLOOPFQHHTVSUTA-UHFFFAOYSA-N
XLogP5.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.26
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-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

4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
5-chloro-1,3-dimethyl-4-naphthalen-2-ylpyrazole
CID 71502219
4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554433
1,3-dimethyl-5-[10-(4-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazol-2-one
CID 167485273
6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one
CID 10320163
1,3-dimethyl-5-[4-(10-pyridin-4-ylanthracen-9-yl)phenyl]benzimidazol-2-one
CID 167485431
5-naphthalen-2-yl-10-(4-propan-2-ylphenyl)benzo[g]isoquinoline
CID 59183792
4-chloro-3-methyl-2-methylsulfanyl-5-naphthalen-2-yl-6-pyridin-4-yl-4H-pyrimidine;3-methyl-2-methylsulfanyl-5-naphthalen-2-yl-6-pyridin-4-ylpyrimidin-4-one;phosphoryl trichloride
CID 162109587
3-methyl-5-naphthalen-2-yl-2-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 22185209
4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine
CID 88554710
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
3-hydroxy-1-methyl-4-pyridin-4-ylquinolin-2-one
CID 137027848

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one?
The IUPAC name of 5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one (CID 22185179) is 5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one is Cn1c(Cl)c(Cl)c(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O.
What is the InChIKey of 5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one?
The InChIKey is LOOPFQHHTVSUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O/c1-25-20(23)19(22)17(14-8-10-24-11-9-14)18(21(25)26)16-7-6-13-4-2-3-5-15(13)12-16/h2-12H,1H3.
What are the key properties of 5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one?
5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one has a molecular weight of 381.26 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 22185179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).