2,8-dichloro-5-methoxy-3-methylquinoline

C11H9Cl2NO — CID 63232144

IUPAC2,8-dichloro-5-methoxy-3-methylquinoline
SMILESCOc1ccc(Cl)c2nc(Cl)c(C)cc12
InChIInChI=1S/C11H9Cl2NO/c1-6-5-7-9(15-2)4-3-8(12)10(7)14-11(6)13/h3-5H,1-2H3
InChIKeyBTYIUIUBXHRNIC-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.86
Rot. Bonds1

About 2,8-dichloro-5-methoxy-3-methylquinoline

2,8-dichloro-5-methoxy-3-methylquinoline (PubChem CID 63232144) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 2,8-dichloro-5-methoxy-3-methylquinoline.

Molecular Properties

Compound Name2,8-dichloro-5-methoxy-3-methylquinoline
PubChem CID63232144
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name2,8-dichloro-5-methoxy-3-methylquinoline
SMILESCOc1ccc(Cl)c2nc(Cl)c(C)cc12
InChIInChI=1S/C11H9Cl2NO/c1-6-5-7-9(15-2)4-3-8(12)10(7)14-11(6)13/h3-5H,1-2H3
InChIKeyBTYIUIUBXHRNIC-UHFFFAOYSA-N
XLogP3.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-7-methoxyquinoline
CID 10607829
2-Chloro-7-methoxyquinoline-3-carbaldehyde oxime
CID 9624272
2-Chloro-3-(chloromethyl)-7-methoxyquinoline
CID 2512529
2-Chloro-7-methoxyquinoline-3-methanol
CID 828415
2-Chloro-7-methoxy-4-methylquinoline
CID 732214
2-Chloro-7-methoxyquinoline-3-carbonitrile
CID 778250
2-Chloro-4-methoxyquinoline
CID 12369166
6-Chloro-2-(4-methoxyphenyl)-4-phenylquinoline
CID 309231
2-Chloro-5,8-dimethoxy-4-methylquinoline
CID 269158
7-Methoxy-2-methylquinoline
CID 10702361
4-Chloro-7-methoxy-2-methylquinoline
CID 10822232
4-Chloro-2-methoxyquinoline
CID 10965377

Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-5-methoxy-3-methylquinoline?
The IUPAC name of 2,8-dichloro-5-methoxy-3-methylquinoline (CID 63232144) is 2,8-dichloro-5-methoxy-3-methylquinoline.
What is the SMILES notation for 2,8-dichloro-5-methoxy-3-methylquinoline?
The canonical SMILES for 2,8-dichloro-5-methoxy-3-methylquinoline is COc1ccc(Cl)c2nc(Cl)c(C)cc12.
What is the InChIKey of 2,8-dichloro-5-methoxy-3-methylquinoline?
The InChIKey is BTYIUIUBXHRNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-6-5-7-9(15-2)4-3-8(12)10(7)14-11(6)13/h3-5H,1-2H3.
What are the key properties of 2,8-dichloro-5-methoxy-3-methylquinoline?
2,8-dichloro-5-methoxy-3-methylquinoline has a molecular weight of 242.10 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-5-methoxy-3-methylquinoline is sourced from PubChem (CID 63232144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).