(5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol

C27H24ClNO3 — CID 11453616

About (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol

(5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 11453616) has the molecular formula C27H24ClNO3 and a molecular weight of 445.95 g/mol. Its IUPAC name is (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

• Compound Name: (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
• PubChem CID: 11453616
• Molecular Formula: C27H24ClNO3
• Molecular Weight: 445.95 g/mol
• Exact Mass: 445.14
• IUPAC Name: (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
• SMILES: COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(Cl)c1)O2)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C27H24ClNO3/c1-15-14-27(2,3)29-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(28)12-16)32-21-11-10-20(30)26(31-4)25(18)21/h5-14,29-30H,1-4H3/b22-13-
• InChIKey: FCBQFEJAGGZMFJ-XKZIYDEJSA-N
• XLogP: 7.22
• TPSA: 50.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.95
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?

The IUPAC name of (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (CID 11453616) is (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

What is the SMILES notation for (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?

The canonical SMILES for (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(Cl)c1)O2)C(C)=CC(C)(C)N3.

What is the InChIKey of (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?

The InChIKey is FCBQFEJAGGZMFJ-XKZIYDEJSA-N. The full InChI is InChI=1S/C27H24ClNO3/c1-15-14-27(2,3)29-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(28)12-16)32-21-11-10-20(30)26(31-4)25(18)21/h5-14,29-30H,1-4H3/b22-13-.

What are the key properties of (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?

(5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 445.95 g/mol, XLogP of 7.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 11453616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).