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

C24H27FN4O2 — CID 121453106

IUPAC6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESCOc1ccc(/C=C/c2nc(NCCCN3CCOCC3)c3cc(F)ccc3n2)cc1
InChIInChI=1S/C24H27FN4O2/c1-30-20-7-3-18(4-8-20)5-10-23-27-22-9-6-19(25)17-21(22)24(28-23)26-11-2-12-29-13-15-31-16-14-29/h3-10,17H,2,11-16H2,1H3,(H,26,27,28)/b10-5+
InChIKeyXQZPHAIZLFPDBW-BJMVGYQFSA-N
MW422.50 g/mol
LogP4.08
Rot. Bonds8

About 6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (PubChem CID 121453106) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
PubChem CID121453106
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESCOc1ccc(/C=C/c2nc(NCCCN3CCOCC3)c3cc(F)ccc3n2)cc1
InChIInChI=1S/C24H27FN4O2/c1-30-20-7-3-18(4-8-20)5-10-23-27-22-9-6-19(25)17-21(22)24(28-23)26-11-2-12-29-13-15-31-16-14-29/h3-10,17H,2,11-16H2,1H3,(H,26,27,28)/b10-5+
InChIKeyXQZPHAIZLFPDBW-BJMVGYQFSA-N
XLogP4.08
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.08
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 6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (CID 121453106) is 6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is COc1ccc(/C=C/c2nc(NCCCN3CCOCC3)c3cc(F)ccc3n2)cc1.
What is the InChIKey of 6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The InChIKey is XQZPHAIZLFPDBW-BJMVGYQFSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-30-20-7-3-18(4-8-20)5-10-23-27-22-9-6-19(25)17-21(22)24(28-23)26-11-2-12-29-13-15-31-16-14-29/h3-10,17H,2,11-16H2,1H3,(H,26,27,28)/b10-5+.
What are the key properties of 6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine has a molecular weight of 422.50 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is sourced from PubChem (CID 121453106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).