2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H19N5 — CID 24908960

About 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24908960) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24908960
• Molecular Formula: C22H19N5
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.16
• IUPAC Name: 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1cncc(-c2ncc3c(n2)CCN(Cc2ccnc4ccccc24)C3)c1
• InChI: InChI=1S/C22H19N5/c1-2-6-21-19(5-1)17(7-10-24-21)14-27-11-8-20-18(15-27)13-25-22(26-20)16-4-3-9-23-12-16/h1-7,9-10,12-13H,8,11,14-15H2
• InChIKey: KOJPBJQCQHOINC-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 54.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24908960) is 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cncc(-c2ncc3c(n2)CCN(Cc2ccnc4ccccc24)C3)c1.

What is the InChIKey of 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is KOJPBJQCQHOINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-6-21-19(5-1)17(7-10-24-21)14-27-11-8-20-18(15-27)13-25-22(26-20)16-4-3-9-23-12-16/h1-7,9-10,12-13H,8,11,14-15H2.

What are the key properties of 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 353.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24908960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).