8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline

C26H18Cl4N2O2 — CID 160951827

IUPAC8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline
SMILESCOc1cc2cccc(Cl)c2nc1-c1ccccc1Cl.COc1cc2cccc(Cl)c2nc1Cl
InChIInChI=1S/C16H11Cl2NO.C10H7Cl2NO/c1-20-14-9-10-5-4-8-13(18)15(10)19-16(14)11-6-2-3-7-12(11)17;1-14-8-5-6-3-2-4-7(11)9(6)13-10(8)12/h2-9H,1H3;2-5H,1H3
InChIKeySVWAKQYJBJABGC-UHFFFAOYSA-N
MW532.25 g/mol
LogP8.77
Rot. Bonds3

About 8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline

8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline (PubChem CID 160951827) has the molecular formula C26H18Cl4N2O2 and a molecular weight of 532.25 g/mol. Its IUPAC name is 8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline.

Molecular Properties

Compound Name8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline
PubChem CID160951827
Molecular FormulaC26H18Cl4N2O2
Molecular Weight532.25 g/mol
Exact Mass530.01
IUPAC Name8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline
SMILESCOc1cc2cccc(Cl)c2nc1-c1ccccc1Cl.COc1cc2cccc(Cl)c2nc1Cl
InChIInChI=1S/C16H11Cl2NO.C10H7Cl2NO/c1-20-14-9-10-5-4-8-13(18)15(10)19-16(14)11-6-2-3-7-12(11)17;1-14-8-5-6-3-2-4-7(11)9(6)13-10(8)12/h2-9H,1H3;2-5H,1H3
InChIKeySVWAKQYJBJABGC-UHFFFAOYSA-N
XLogP8.77
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.25
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline?
The IUPAC name of 8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline (CID 160951827) is 8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline.
What is the SMILES notation for 8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline?
The canonical SMILES for 8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline is COc1cc2cccc(Cl)c2nc1-c1ccccc1Cl.COc1cc2cccc(Cl)c2nc1Cl.
What is the InChIKey of 8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline?
The InChIKey is SVWAKQYJBJABGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO.C10H7Cl2NO/c1-20-14-9-10-5-4-8-13(18)15(10)19-16(14)11-6-2-3-7-12(11)17;1-14-8-5-6-3-2-4-7(11)9(6)13-10(8)12/h2-9H,1H3;2-5H,1H3.
What are the key properties of 8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline?
8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline has a molecular weight of 532.25 g/mol, XLogP of 8.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline is sourced from PubChem (CID 160951827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).