2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

C24H28N4O2 — CID 121453097

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESCOc1ccc(/C=C/c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H28N4O2/c1-29-20-10-7-19(8-11-20)9-12-23-26-22-6-3-2-5-21(22)24(27-23)25-13-4-14-28-15-17-30-18-16-28/h2-3,5-12H,4,13-18H2,1H3,(H,25,26,27)/b12-9+
InChIKeyOECGSLXNZNODDF-FMIVXFBMSA-N
MW404.51 g/mol
LogP3.94
Rot. Bonds8

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (PubChem CID 121453097) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
PubChem CID121453097
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESCOc1ccc(/C=C/c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H28N4O2/c1-29-20-10-7-19(8-11-20)9-12-23-26-22-6-3-2-5-21(22)24(27-23)25-13-4-14-28-15-17-30-18-16-28/h2-3,5-12H,4,13-18H2,1H3,(H,25,26,27)/b12-9+
InChIKeyOECGSLXNZNODDF-FMIVXFBMSA-N
XLogP3.94
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (CID 121453097) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is COc1ccc(/C=C/c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The InChIKey is OECGSLXNZNODDF-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-29-20-10-7-19(8-11-20)9-12-23-26-22-6-3-2-5-21(22)24(27-23)25-13-4-14-28-15-17-30-18-16-28/h2-3,5-12H,4,13-18H2,1H3,(H,25,26,27)/b12-9+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine has a molecular weight of 404.51 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is sourced from PubChem (CID 121453097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).