4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline

C22H17BrCl2N2O2 — CID 68806246

IUPAC4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline
SMILESC=Cc1c(Cl)ccc2ccc(OC)nc12.COc1ccc2ncc(Cl)c(Br)c2c1
InChIInChI=1S/C12H10ClNO.C10H7BrClNO/c1-3-9-10(13)6-4-8-5-7-11(15-2)14-12(8)9;1-14-6-2-3-9-7(4-6)10(11)8(12)5-13-9/h3-7H,1H2,2H3;2-5H,1H3
InChIKeyQIJJBYHHOXJTIH-UHFFFAOYSA-N
MW492.20 g/mol
LogP7.20
Rot. Bonds3

About 4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline

4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline (PubChem CID 68806246) has the molecular formula C22H17BrCl2N2O2 and a molecular weight of 492.20 g/mol. Its IUPAC name is 4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline.

Molecular Properties

Compound Name4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline
PubChem CID68806246
Molecular FormulaC22H17BrCl2N2O2
Molecular Weight492.20 g/mol
Exact Mass489.99
IUPAC Name4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline
SMILESC=Cc1c(Cl)ccc2ccc(OC)nc12.COc1ccc2ncc(Cl)c(Br)c2c1
InChIInChI=1S/C12H10ClNO.C10H7BrClNO/c1-3-9-10(13)6-4-8-5-7-11(15-2)14-12(8)9;1-14-6-2-3-9-7(4-6)10(11)8(12)5-13-9/h3-7H,1H2,2H3;2-5H,1H3
InChIKeyQIJJBYHHOXJTIH-UHFFFAOYSA-N
XLogP7.20
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.20
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline 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 4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline?
The IUPAC name of 4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline (CID 68806246) is 4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline.
What is the SMILES notation for 4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline?
The canonical SMILES for 4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline is C=Cc1c(Cl)ccc2ccc(OC)nc12.COc1ccc2ncc(Cl)c(Br)c2c1.
What is the InChIKey of 4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline?
The InChIKey is QIJJBYHHOXJTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO.C10H7BrClNO/c1-3-9-10(13)6-4-8-5-7-11(15-2)14-12(8)9;1-14-6-2-3-9-7(4-6)10(11)8(12)5-13-9/h3-7H,1H2,2H3;2-5H,1H3.
What are the key properties of 4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline?
4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline has a molecular weight of 492.20 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-6-methoxyquinoline;7-chloro-8-ethenyl-2-methoxyquinoline is sourced from PubChem (CID 68806246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).