(3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol

C28H20Cl3N3O — CID 74223021

About (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol

(3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol (PubChem CID 74223021) has the molecular formula C28H20Cl3N3O and a molecular weight of 520.85 g/mol. Its IUPAC name is (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol.

Molecular Properties

• Compound Name: (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol
• PubChem CID: 74223021
• Molecular Formula: C28H20Cl3N3O
• Molecular Weight: 520.85 g/mol
• Exact Mass: 519.07
• IUPAC Name: (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol
• SMILES: CN(c1ccccc1)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl
• InChI: InChI=1S/C28H20Cl3N3O/c1-34(22-10-3-2-4-11-22)26-25(30)23-16-19(12-13-24(23)33-27(26)31)28(35,20-8-6-14-32-17-20)18-7-5-9-21(29)15-18/h2-17,35H,1H3
• InChIKey: CXISRSBZHJUAJP-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.85
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol?

The IUPAC name of (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol (CID 74223021) is (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol.

What is the SMILES notation for (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol?

The canonical SMILES for (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol is CN(c1ccccc1)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.

What is the InChIKey of (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol?

The InChIKey is CXISRSBZHJUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl3N3O/c1-34(22-10-3-2-4-11-22)26-25(30)23-16-19(12-13-24(23)33-27(26)31)28(35,20-8-6-14-32-17-20)18-7-5-9-21(29)15-18/h2-17,35H,1H3.

What are the key properties of (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol?

(3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol has a molecular weight of 520.85 g/mol, XLogP of 7.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 74223021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).