2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline

C160H130Br2Cl3N13O10 — CID 159439391

IUPAC2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline
SMILESCOc1ccc2nc(/C=C/c3cccc(Br)c3)ccc2c1.COc1ccc2nc(/C=C/c3cccc(Cl)c3)ccc2c1.COc1ccc2nc(/C=C/c3ccccc3Br)ccc2c1.COc1ccc2nc(/C=C/c3ccccc3Cl)ccc2c1.COc1ccc2nc(/C=C/c3ccccn3)ccc2c1.COc1ccc2nc(/C=C/c3cccnc3)ccc2c1.COc1ccc2nc(/C=C/c3cccnc3C)ccc2c1.COc1ccc2nc(/C=C/c3cccnc3Cl)ccc2c1.COc1cccc(/C=C/c2ccc3cc(OC)ccc3n2)c1
InChIInChI=1S/C19H17NO2.2C18H14BrNO.2C18H14ClNO.C18H16N2O.C17H13ClN2O.2C17H14N2O/c1-21-17-5-3-4-14(12-17)6-8-16-9-7-15-13-18(22-2)10-11-19(15)20-16;1-21-17-9-10-18-14(12-17)6-8-16(20-18)7-5-13-3-2-4-15(19)11-13;1-21-16-10-11-18-14(12-16)7-9-15(20-18)8-6-13-4-2-3-5-17(13)19;1-21-17-9-10-18-14(12-17)6-8-16(20-18)7-5-13-3-2-4-15(19)11-13;1-21-16-10-11-18-14(12-16)7-9-15(20-18)8-6-13-4-2-3-5-17(13)19;1-13-14(4-3-11-19-13)5-7-16-8-6-15-12-17(21-2)9-10-18(15)20-16;1-21-15-8-9-16-13(11-15)5-7-14(20-16)6-4-12-3-2-10-19-17(12)18;1-20-16-8-9-17-14(11-16)5-7-15(19-17)6-4-13-3-2-10-18-12-13;1-20-16-9-10-17-13(12-16)5-6-15(19-17)8-7-14-4-2-3-11-18-14/h3-13H,1-2H3;4*2-12H,1H3;3-12H,1-2H3;2-11H,1H3;2*2-12H,1H3/b8-6+;7-5+;8-6+;7-5+;8-6+;7-5+;2*6-4+;8-7+
InChIKeyLRZBKWNTYXYNNW-LADHKBODSA-N
MW2661.05 g/mol
LogP41.11
Rot. Bonds28

About 2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline

2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline (PubChem CID 159439391) has the molecular formula C160H130Br2Cl3N13O10 and a molecular weight of 2661.05 g/mol. Its IUPAC name is 2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline
PubChem CID159439391
Molecular FormulaC160H130Br2Cl3N13O10
Molecular Weight2661.05 g/mol
Exact Mass2655.75
IUPAC Name2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline
SMILESCOc1ccc2nc(/C=C/c3cccc(Br)c3)ccc2c1.COc1ccc2nc(/C=C/c3cccc(Cl)c3)ccc2c1.COc1ccc2nc(/C=C/c3ccccc3Br)ccc2c1.COc1ccc2nc(/C=C/c3ccccc3Cl)ccc2c1.COc1ccc2nc(/C=C/c3ccccn3)ccc2c1.COc1ccc2nc(/C=C/c3cccnc3)ccc2c1.COc1ccc2nc(/C=C/c3cccnc3C)ccc2c1.COc1ccc2nc(/C=C/c3cccnc3Cl)ccc2c1.COc1cccc(/C=C/c2ccc3cc(OC)ccc3n2)c1
InChIInChI=1S/C19H17NO2.2C18H14BrNO.2C18H14ClNO.C18H16N2O.C17H13ClN2O.2C17H14N2O/c1-21-17-5-3-4-14(12-17)6-8-16-9-7-15-13-18(22-2)10-11-19(15)20-16;1-21-17-9-10-18-14(12-17)6-8-16(20-18)7-5-13-3-2-4-15(19)11-13;1-21-16-10-11-18-14(12-16)7-9-15(20-18)8-6-13-4-2-3-5-17(13)19;1-21-17-9-10-18-14(12-17)6-8-16(20-18)7-5-13-3-2-4-15(19)11-13;1-21-16-10-11-18-14(12-16)7-9-15(20-18)8-6-13-4-2-3-5-17(13)19;1-13-14(4-3-11-19-13)5-7-16-8-6-15-12-17(21-2)9-10-18(15)20-16;1-21-15-8-9-16-13(11-15)5-7-14(20-16)6-4-12-3-2-10-19-17(12)18;1-20-16-8-9-17-14(11-16)5-7-15(19-17)6-4-13-3-2-10-18-12-13;1-20-16-9-10-17-13(12-16)5-6-15(19-17)8-7-14-4-2-3-11-18-14/h3-13H,1-2H3;4*2-12H,1H3;3-12H,1-2H3;2-11H,1H3;2*2-12H,1H3/b8-6+;7-5+;8-6+;7-5+;8-6+;7-5+;2*6-4+;8-7+
InChIKeyLRZBKWNTYXYNNW-LADHKBODSA-N
XLogP41.11
TPSA259.87 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds28
Heavy Atoms188
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002661.05
LogP ≤ 541.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline 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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline?
The IUPAC name of 2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline (CID 159439391) is 2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline is COc1ccc2nc(/C=C/c3cccc(Br)c3)ccc2c1.COc1ccc2nc(/C=C/c3cccc(Cl)c3)ccc2c1.COc1ccc2nc(/C=C/c3ccccc3Br)ccc2c1.COc1ccc2nc(/C=C/c3ccccc3Cl)ccc2c1.COc1ccc2nc(/C=C/c3ccccn3)ccc2c1.COc1ccc2nc(/C=C/c3cccnc3)ccc2c1.COc1ccc2nc(/C=C/c3cccnc3C)ccc2c1.COc1ccc2nc(/C=C/c3cccnc3Cl)ccc2c1.COc1cccc(/C=C/c2ccc3cc(OC)ccc3n2)c1.
What is the InChIKey of 2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline?
The InChIKey is LRZBKWNTYXYNNW-LADHKBODSA-N. The full InChI is InChI=1S/C19H17NO2.2C18H14BrNO.2C18H14ClNO.C18H16N2O.C17H13ClN2O.2C17H14N2O/c1-21-17-5-3-4-14(12-17)6-8-16-9-7-15-13-18(22-2)10-11-19(15)20-16;1-21-17-9-10-18-14(12-17)6-8-16(20-18)7-5-13-3-2-4-15(19)11-13;1-21-16-10-11-18-14(12-16)7-9-15(20-18)8-6-13-4-2-3-5-17(13)19;1-21-17-9-10-18-14(12-17)6-8-16(20-18)7-5-13-3-2-4-15(19)11-13;1-21-16-10-11-18-14(12-16)7-9-15(20-18)8-6-13-4-2-3-5-17(13)19;1-13-14(4-3-11-19-13)5-7-16-8-6-15-12-17(21-2)9-10-18(15)20-16;1-21-15-8-9-16-13(11-15)5-7-14(20-16)6-4-12-3-2-10-19-17(12)18;1-20-16-8-9-17-14(11-16)5-7-15(19-17)6-4-13-3-2-10-18-12-13;1-20-16-9-10-17-13(12-16)5-6-15(19-17)8-7-14-4-2-3-11-18-14/h3-13H,1-2H3;4*2-12H,1H3;3-12H,1-2H3;2-11H,1H3;2*2-12H,1H3/b8-6+;7-5+;8-6+;7-5+;8-6+;7-5+;2*6-4+;8-7+.
What are the key properties of 2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline?
2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline has a molecular weight of 2661.05 g/mol, XLogP of 41.11, 28 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline is sourced from PubChem (CID 159439391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).