2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline

C14H15Cl2NO — CID 55222599

IUPAC2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline
SMILESCOc1cc(Cl)c(C)c2cc(C(C)C)c(Cl)nc12
InChIInChI=1S/C14H15Cl2NO/c1-7(2)9-5-10-8(3)11(15)6-12(18-4)13(10)17-14(9)16/h5-7H,1-4H3
InChIKeyLRYJFSXKQFMCKF-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.98
Rot. Bonds2

About 2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline

2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline (PubChem CID 55222599) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline
PubChem CID55222599
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline
SMILESCOc1cc(Cl)c(C)c2cc(C(C)C)c(Cl)nc12
InChIInChI=1S/C14H15Cl2NO/c1-7(2)9-5-10-8(3)11(15)6-12(18-4)13(10)17-14(9)16/h5-7H,1-4H3
InChIKeyLRYJFSXKQFMCKF-UHFFFAOYSA-N
XLogP4.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline?
The IUPAC name of 2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline (CID 55222599) is 2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline.
What is the SMILES notation for 2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline?
The canonical SMILES for 2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline is COc1cc(Cl)c(C)c2cc(C(C)C)c(Cl)nc12.
What is the InChIKey of 2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline?
The InChIKey is LRYJFSXKQFMCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-7(2)9-5-10-8(3)11(15)6-12(18-4)13(10)17-14(9)16/h5-7H,1-4H3.
What are the key properties of 2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline?
2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline has a molecular weight of 284.19 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline is sourced from PubChem (CID 55222599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).