6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H20Cl2N4 — CID 24912306

About 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912306) has the molecular formula C24H20Cl2N4 and a molecular weight of 435.36 g/mol. Its IUPAC name is 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24912306
• Molecular Formula: C24H20Cl2N4
• Molecular Weight: 435.36 g/mol
• Exact Mass: 434.11
• IUPAC Name: 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1cccc2cc(CN3CCc4nc(-c5ccc(Cl)cc5)ncc4C3)c(Cl)nc12
• InChI: InChI=1S/C24H20Cl2N4/c1-15-3-2-4-17-11-18(23(26)29-22(15)17)13-30-10-9-21-19(14-30)12-27-24(28-21)16-5-7-20(25)8-6-16/h2-8,11-12H,9-10,13-14H2,1H3
• InChIKey: KMSOKYXPPOJMJY-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.36
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
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 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912306) is 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cccc2cc(CN3CCc4nc(-c5ccc(Cl)cc5)ncc4C3)c(Cl)nc12.

What is the InChIKey of 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is KMSOKYXPPOJMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4/c1-15-3-2-4-17-11-18(23(26)29-22(15)17)13-30-10-9-21-19(14-30)12-27-24(28-21)16-5-7-20(25)8-6-16/h2-8,11-12H,9-10,13-14H2,1H3.

What are the key properties of 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 435.36 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).