2,8-dichloro-3-ethyl-5-methoxyquinoline

C12H11Cl2NO — CID 63232145

IUPAC2,8-dichloro-3-ethyl-5-methoxyquinoline
SMILESCCc1cc2c(OC)ccc(Cl)c2nc1Cl
InChIInChI=1S/C12H11Cl2NO/c1-3-7-6-8-10(16-2)5-4-9(13)11(8)15-12(7)14/h4-6H,3H2,1-2H3
InChIKeyDPMQOXJAZIYEIZ-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.11
Rot. Bonds2

About 2,8-dichloro-3-ethyl-5-methoxyquinoline

2,8-dichloro-3-ethyl-5-methoxyquinoline (PubChem CID 63232145) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 2,8-dichloro-3-ethyl-5-methoxyquinoline.

Molecular Properties

Compound Name2,8-dichloro-3-ethyl-5-methoxyquinoline
PubChem CID63232145
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name2,8-dichloro-3-ethyl-5-methoxyquinoline
SMILESCCc1cc2c(OC)ccc(Cl)c2nc1Cl
InChIInChI=1S/C12H11Cl2NO/c1-3-7-6-8-10(16-2)5-4-9(13)11(8)15-12(7)14/h4-6H,3H2,1-2H3
InChIKeyDPMQOXJAZIYEIZ-UHFFFAOYSA-N
XLogP4.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,8-dichloro-3-ethyl-5-methoxyquinoline 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-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-3-ethyl-5-methoxyquinoline?
The IUPAC name of 2,8-dichloro-3-ethyl-5-methoxyquinoline (CID 63232145) is 2,8-dichloro-3-ethyl-5-methoxyquinoline.
What is the SMILES notation for 2,8-dichloro-3-ethyl-5-methoxyquinoline?
The canonical SMILES for 2,8-dichloro-3-ethyl-5-methoxyquinoline is CCc1cc2c(OC)ccc(Cl)c2nc1Cl.
What is the InChIKey of 2,8-dichloro-3-ethyl-5-methoxyquinoline?
The InChIKey is DPMQOXJAZIYEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-3-7-6-8-10(16-2)5-4-9(13)11(8)15-12(7)14/h4-6H,3H2,1-2H3.
What are the key properties of 2,8-dichloro-3-ethyl-5-methoxyquinoline?
2,8-dichloro-3-ethyl-5-methoxyquinoline has a molecular weight of 256.13 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-3-ethyl-5-methoxyquinoline is sourced from PubChem (CID 63232145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).