5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol

C24H22Cl2N2O — CID 171343865

About 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol

5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol (PubChem CID 171343865) has the molecular formula C24H22Cl2N2O and a molecular weight of 425.36 g/mol. Its IUPAC name is 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol.

Molecular Properties

• Compound Name: 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
• PubChem CID: 171343865
• Molecular Formula: C24H22Cl2N2O
• Molecular Weight: 425.36 g/mol
• Exact Mass: 424.11
• IUPAC Name: 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
• SMILES: Cc1ccccc1CN1CC=C(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)CC1
• InChI: InChI=1S/C24H22Cl2N2O/c1-16-4-2-3-5-18(16)15-28-12-10-17(11-13-28)6-7-19-8-9-20-21(25)14-22(26)24(29)23(20)27-19/h2-10,14,29H,11-13,15H2,1H3/b7-6+
• InChIKey: QLHRXAQCBLOITC-VOTSOKGWSA-N
• XLogP: 6.40
• TPSA: 36.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.36
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?

The IUPAC name of 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol (CID 171343865) is 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol.

What is the SMILES notation for 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?

The canonical SMILES for 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol is Cc1ccccc1CN1CC=C(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)CC1.

What is the InChIKey of 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?

The InChIKey is QLHRXAQCBLOITC-VOTSOKGWSA-N. The full InChI is InChI=1S/C24H22Cl2N2O/c1-16-4-2-3-5-18(16)15-28-12-10-17(11-13-28)6-7-19-8-9-20-21(25)14-22(26)24(29)23(20)27-19/h2-10,14,29H,11-13,15H2,1H3/b7-6+.

What are the key properties of 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?

5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol has a molecular weight of 425.36 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol is sourced from PubChem (CID 171343865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).