1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine

C24H29N7O — CID 167707859

About 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine

1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine (PubChem CID 167707859) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine
• PubChem CID: 167707859
• Molecular Formula: C24H29N7O
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.24
• IUPAC Name: 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine
• SMILES: CC(C)n1ncc2ccc3cnc(Nc4ccc(NCCN5CCOCC5)cc4)nc3c21
• InChI: InChI=1S/C24H29N7O/c1-17(2)31-23-19(16-27-31)4-3-18-15-26-24(29-22(18)23)28-21-7-5-20(6-8-21)25-9-10-30-11-13-32-14-12-30/h3-8,15-17,25H,9-14H2,1-2H3,(H,26,28,29)
• InChIKey: FJXFIQHURKPVKF-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 80.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine?

The IUPAC name of 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine (CID 167707859) is 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine.

What is the SMILES notation for 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine?

The canonical SMILES for 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine is CC(C)n1ncc2ccc3cnc(Nc4ccc(NCCN5CCOCC5)cc4)nc3c21.

What is the InChIKey of 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine?

The InChIKey is FJXFIQHURKPVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-17(2)31-23-19(16-27-31)4-3-18-15-26-24(29-22(18)23)28-21-7-5-20(6-8-21)25-9-10-30-11-13-32-14-12-30/h3-8,15-17,25H,9-14H2,1-2H3,(H,26,28,29).

What are the key properties of 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine?

1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine has a molecular weight of 431.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine is sourced from PubChem (CID 167707859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).