8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline

C14H9Cl2N3O — CID 79632871

IUPAC8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline
SMILESCc1ccc2cccc(Oc3nc(Cl)ncc3Cl)c2n1
InChIInChI=1S/C14H9Cl2N3O/c1-8-5-6-9-3-2-4-11(12(9)18-8)20-13-10(15)7-17-14(16)19-13/h2-7H,1H3
InChIKeyJSCMNFNDRPJUGF-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.43
Rot. Bonds2

About 8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline

8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline (PubChem CID 79632871) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline.

Molecular Properties

Compound Name8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline
PubChem CID79632871
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline
SMILESCc1ccc2cccc(Oc3nc(Cl)ncc3Cl)c2n1
InChIInChI=1S/C14H9Cl2N3O/c1-8-5-6-9-3-2-4-11(12(9)18-8)20-13-10(15)7-17-14(16)19-13/h2-7H,1H3
InChIKeyJSCMNFNDRPJUGF-UHFFFAOYSA-N
XLogP4.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline 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

8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline
CID 43352208
[2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane
CID 144987523
3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide
CID 62683637
8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
CID 2182910
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
CID 20665518
CID 20665518
(1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol
CID 83111455
(1R)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol
CID 83110709
2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine
CID 79633476
[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]methanamine
CID 115487171
8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
CID 62886311
8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline
CID 114870685

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline?
The IUPAC name of 8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline (CID 79632871) is 8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline.
What is the SMILES notation for 8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline?
The canonical SMILES for 8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline is Cc1ccc2cccc(Oc3nc(Cl)ncc3Cl)c2n1.
What is the InChIKey of 8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline?
The InChIKey is JSCMNFNDRPJUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c1-8-5-6-9-3-2-4-11(12(9)18-8)20-13-10(15)7-17-14(16)19-13/h2-7H,1H3.
What are the key properties of 8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline?
8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline has a molecular weight of 306.15 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline is sourced from PubChem (CID 79632871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).