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

C23H24ClN5 — CID 24911852

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

6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911852) has the molecular formula C23H24ClN5 and a molecular weight of 405.93 g/mol. Its IUPAC name is 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24911852
• Molecular Formula: C23H24ClN5
• Molecular Weight: 405.93 g/mol
• Exact Mass: 405.17
• IUPAC Name: 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1ccc2nc(Cl)c(CN3CCc4nc(C5=NCCCC5)ncc4C3)cc2c1
• InChI: InChI=1S/C23H24ClN5/c1-15-5-6-19-16(10-15)11-17(22(24)27-19)13-29-9-7-20-18(14-29)12-26-23(28-20)21-4-2-3-8-25-21/h5-6,10-12H,2-4,7-9,13-14H2,1H3
• InChIKey: OAIBYXICZDZPND-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 54.27 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.93
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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

The IUPAC name of 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911852) is 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc2nc(Cl)c(CN3CCc4nc(C5=NCCCC5)ncc4C3)cc2c1.

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

The InChIKey is OAIBYXICZDZPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5/c1-15-5-6-19-16(10-15)11-17(22(24)27-19)13-29-9-7-20-18(14-29)12-26-23(28-20)21-4-2-3-8-25-21/h5-6,10-12H,2-4,7-9,13-14H2,1H3.

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

6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 405.93 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).