6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

C24H33N7O3 — CID 165146470

About 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 165146470) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

• Compound Name: 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
• PubChem CID: 165146470
• Molecular Formula: C24H33N7O3
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.26
• IUPAC Name: 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
• SMILES: COc1cc2c(Nc3cc(C)[nH]n3)nc(N3CCOCC3)nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/C24H33N7O3/c1-17-14-22(29-28-17)26-23-18-15-20(32-2)21(34-11-5-8-30-6-3-4-7-30)16-19(18)25-24(27-23)31-9-12-33-13-10-31/h14-16H,3-13H2,1-2H3,(H2,25,26,27,28,29)
• InChIKey: IAKJZDZFWDGCIO-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 100.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The IUPAC name of 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CID 165146470) is 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

What is the SMILES notation for 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The canonical SMILES for 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is COc1cc2c(Nc3cc(C)[nH]n3)nc(N3CCOCC3)nc2cc1OCCCN1CCCC1.

What is the InChIKey of 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The InChIKey is IAKJZDZFWDGCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-17-14-22(29-28-17)26-23-18-15-20(32-2)21(34-11-5-8-30-6-3-4-7-30)16-19(18)25-24(27-23)31-9-12-33-13-10-31/h14-16H,3-13H2,1-2H3,(H2,25,26,27,28,29).

What are the key properties of 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 467.57 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 165146470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).