3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one

C27H24FN3O5 — CID 155677637

About 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one

3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one (PubChem CID 155677637) has the molecular formula C27H24FN3O5 and a molecular weight of 489.50 g/mol. Its IUPAC name is 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one.

Molecular Properties

• Compound Name: 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one
• PubChem CID: 155677637
• Molecular Formula: C27H24FN3O5
• Molecular Weight: 489.50 g/mol
• Exact Mass: 489.17
• IUPAC Name: 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one
• SMILES: COc1cc(F)ccc1-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)c1
• InChI: InChI=1S/C27H24FN3O5/c1-16(32)25-26(31-9-11-35-12-10-31)21-6-4-19(15-23(21)36-27(25)33)30-24-13-17(7-8-29-24)20-5-3-18(28)14-22(20)34-2/h3-8,13-15H,9-12H2,1-2H3,(H,29,30)
• InChIKey: NWFFRMYLKJQAKA-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.50
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one?

The IUPAC name of 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one (CID 155677637) is 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one.

What is the SMILES notation for 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one?

The canonical SMILES for 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one is COc1cc(F)ccc1-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)c1.

What is the InChIKey of 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one?

The InChIKey is NWFFRMYLKJQAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O5/c1-16(32)25-26(31-9-11-35-12-10-31)21-6-4-19(15-23(21)36-27(25)33)30-24-13-17(7-8-29-24)20-5-3-18(28)14-22(20)34-2/h3-8,13-15H,9-12H2,1-2H3,(H,29,30).

What are the key properties of 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one?

3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one has a molecular weight of 489.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one is sourced from PubChem (CID 155677637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).