[5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone

C32H31FN2O5 — CID 72768881

About [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone

[5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 72768881) has the molecular formula C32H31FN2O5 and a molecular weight of 542.61 g/mol. Its IUPAC name is [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone
• PubChem CID: 72768881
• Molecular Formula: C32H31FN2O5
• Molecular Weight: 542.61 g/mol
• Exact Mass: 542.22
• IUPAC Name: [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone
• SMILES: COc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1ccc(F)cc1C(=O)N1CCOCC1)O2)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C32H31FN2O5/c1-18-17-32(2,3)34-23-8-7-21-28(27(18)23)26(40-25-10-9-24(36)30(38-4)29(21)25)15-19-5-6-20(33)16-22(19)31(37)35-11-13-39-14-12-35/h5-10,15-17,34,36H,11-14H2,1-4H3
• InChIKey: CALHWOSLYLAXKZ-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 80.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.61
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone?

The IUPAC name of [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone (CID 72768881) is [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone is COc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1ccc(F)cc1C(=O)N1CCOCC1)O2)C(C)=CC(C)(C)N3.

What is the InChIKey of [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone?

The InChIKey is CALHWOSLYLAXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN2O5/c1-18-17-32(2,3)34-23-8-7-21-28(27(18)23)26(40-25-10-9-24(36)30(38-4)29(21)25)15-19-5-6-20(33)16-22(19)31(37)35-11-13-39-14-12-35/h5-10,15-17,34,36H,11-14H2,1-4H3.

What are the key properties of [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone?

[5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 542.61 g/mol, XLogP of 6.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 72768881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).