N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide

C26H29FN4O4 — CID 155520384

About N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide

N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide (PubChem CID 155520384) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide
• PubChem CID: 155520384
• Molecular Formula: C26H29FN4O4
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.22
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide
• SMILES: C=CC(=O)N(c1ccc(F)c(C)c1)c1ncnc2cc(OC)c(OCCCN3CCOCC3)cc12
• InChI: InChI=1S/C26H29FN4O4/c1-4-25(32)31(19-6-7-21(27)18(2)14-19)26-20-15-24(23(33-3)16-22(20)28-17-29-26)35-11-5-8-30-9-12-34-13-10-30/h4,6-7,14-17H,1,5,8-13H2,2-3H3
• InChIKey: VCDFCELHISCHEY-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 77.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide (CID 155520384) is N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide is C=CC(=O)N(c1ccc(F)c(C)c1)c1ncnc2cc(OC)c(OCCCN3CCOCC3)cc12.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide?

The InChIKey is VCDFCELHISCHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-4-25(32)31(19-6-7-21(27)18(2)14-19)26-20-15-24(23(33-3)16-22(20)28-17-29-26)35-11-5-8-30-9-12-34-13-10-30/h4,6-7,14-17H,1,5,8-13H2,2-3H3.

What are the key properties of N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide?

N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide has a molecular weight of 480.54 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide is sourced from PubChem (CID 155520384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).