N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide

C28H19FN4O2 — CID 134264823

About N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide

N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide (PubChem CID 134264823) has the molecular formula C28H19FN4O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
• PubChem CID: 134264823
• Molecular Formula: C28H19FN4O2
• Molecular Weight: 462.48 g/mol
• Exact Mass: 462.15
• IUPAC Name: N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cccc(-c2cc(-c3ccc(Oc4cccc(F)c4)nc3)cc3cncnc23)c1
• InChI: InChI=1S/C28H19FN4O2/c1-2-26(34)33-23-7-3-5-18(12-23)25-13-20(11-21-15-30-17-32-28(21)25)19-9-10-27(31-16-19)35-24-8-4-6-22(29)14-24/h2-17H,1H2,(H,33,34)
• InChIKey: HQCNRHNULPKTMN-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.48
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide?

The IUPAC name of N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide (CID 134264823) is N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide.

What is the SMILES notation for N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide?

The canonical SMILES for N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2cc(-c3ccc(Oc4cccc(F)c4)nc3)cc3cncnc23)c1.

What is the InChIKey of N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide?

The InChIKey is HQCNRHNULPKTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN4O2/c1-2-26(34)33-23-7-3-5-18(12-23)25-13-20(11-21-15-30-17-32-28(21)25)19-9-10-27(31-16-19)35-24-8-4-6-22(29)14-24/h2-17H,1H2,(H,33,34).

What are the key properties of N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide?

N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide has a molecular weight of 462.48 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 134264823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).