3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one

C22H26N6O2 — CID 126951094

About 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one

3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951094) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

• Compound Name: 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one
• PubChem CID: 126951094
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one
• SMILES: CN1CCc2nnc(N3CCCC3c3nc4ccccc4c(=O)n3CCO)cc2C1
• InChI: InChI=1S/C22H26N6O2/c1-26-10-8-17-15(14-26)13-20(25-24-17)27-9-4-7-19(27)21-23-18-6-3-2-5-16(18)22(30)28(21)11-12-29/h2-3,5-6,13,19,29H,4,7-12,14H2,1H3
• InChIKey: BFQNBIFZLMDPIB-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one?

The IUPAC name of 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one (CID 126951094) is 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one.

What is the SMILES notation for 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one?

The canonical SMILES for 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one is CN1CCc2nnc(N3CCCC3c3nc4ccccc4c(=O)n3CCO)cc2C1.

What is the InChIKey of 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one?

The InChIKey is BFQNBIFZLMDPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-26-10-8-17-15(14-26)13-20(25-24-17)27-9-4-7-19(27)21-23-18-6-3-2-5-16(18)22(30)28(21)11-12-29/h2-3,5-6,13,19,29H,4,7-12,14H2,1H3.

What are the key properties of 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one?

3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 406.49 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-hydroxyethyl)-2-[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).