7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine

C23H35N7O3 — CID 165146467

About 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine

7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine (PubChem CID 165146467) has the molecular formula C23H35N7O3 and a molecular weight of 457.58 g/mol. Its IUPAC name is 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine.

Molecular Properties

• Compound Name: 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine
• PubChem CID: 165146467
• Molecular Formula: C23H35N7O3
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.28
• IUPAC Name: 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine
• SMILES: CCc1cc(Nc2nc(NCCOC)nc3cc(OCCCN(C)CC)c(OC)cc23)n[nH]1
• InChI: InChI=1S/C23H35N7O3/c1-6-16-13-21(29-28-16)26-22-17-14-19(32-5)20(33-11-8-10-30(3)7-2)15-18(17)25-23(27-22)24-9-12-31-4/h13-15H,6-12H2,1-5H3,(H3,24,25,26,27,28,29)
• InChIKey: NZODWNKOZQHYQC-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 109.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
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 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine?

The IUPAC name of 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine (CID 165146467) is 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine.

What is the SMILES notation for 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine?

The canonical SMILES for 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine is CCc1cc(Nc2nc(NCCOC)nc3cc(OCCCN(C)CC)c(OC)cc23)n[nH]1.

What is the InChIKey of 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine?

The InChIKey is NZODWNKOZQHYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N7O3/c1-6-16-13-21(29-28-16)26-22-17-14-19(32-5)20(33-11-8-10-30(3)7-2)15-18(17)25-23(27-22)24-9-12-31-4/h13-15H,6-12H2,1-5H3,(H3,24,25,26,27,28,29).

What are the key properties of 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine?

7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine has a molecular weight of 457.58 g/mol, XLogP of 3.45, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 165146467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).