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

C24H21ClN4 — CID 24911410

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

6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911410) has the molecular formula C24H21ClN4 and a molecular weight of 400.91 g/mol. Its IUPAC name is 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24911410
• Molecular Formula: C24H21ClN4
• Molecular Weight: 400.91 g/mol
• Exact Mass: 400.15
• IUPAC Name: 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1ccc2cc(CN3CCc4nc(-c5ccccc5)ncc4C3)c(Cl)nc2c1
• InChI: InChI=1S/C24H21ClN4/c1-16-7-8-18-12-19(23(25)27-22(18)11-16)14-29-10-9-21-20(15-29)13-26-24(28-21)17-5-3-2-4-6-17/h2-8,11-13H,9-10,14-15H2,1H3
• InChIKey: GLQVXTMIJJXVEK-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.91
LogP ≤ 5	5.21
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-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911410) is 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc2cc(CN3CCc4nc(-c5ccccc5)ncc4C3)c(Cl)nc2c1.

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

The InChIKey is GLQVXTMIJJXVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4/c1-16-7-8-18-12-19(23(25)27-22(18)11-16)14-29-10-9-21-20(15-29)13-26-24(28-21)17-5-3-2-4-6-17/h2-8,11-13H,9-10,14-15H2,1H3.

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

6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 400.91 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).