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

C27H24FNO3 — CID 11304952

IUPAC(5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccccc1F)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H24FNO3/c1-15-14-27(2,3)29-19-10-9-17-24(23(15)19)22(13-16-7-5-6-8-18(16)28)32-21-12-11-20(30)26(31-4)25(17)21/h5-14,29-30H,1-4H3/b22-13-
InChIKeyMPVGXDFFAWVSJS-XKZIYDEJSA-N
MW429.49 g/mol
LogP6.70
Rot. Bonds2

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

(5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 11304952) has the molecular formula C27H24FNO3 and a molecular weight of 429.49 g/mol. Its IUPAC name is (5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID11304952
Molecular FormulaC27H24FNO3
Molecular Weight429.49 g/mol
Exact Mass429.17
IUPAC Name(5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccccc1F)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H24FNO3/c1-15-14-27(2,3)29-19-10-9-17-24(23(15)19)22(13-16-7-5-6-8-18(16)28)32-21-12-11-20(30)26(31-4)25(17)21/h5-14,29-30H,1-4H3/b22-13-
InChIKeyMPVGXDFFAWVSJS-XKZIYDEJSA-N
XLogP6.70
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (CID 11304952) is (5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccccc1F)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is MPVGXDFFAWVSJS-XKZIYDEJSA-N. The full InChI is InChI=1S/C27H24FNO3/c1-15-14-27(2,3)29-19-10-9-17-24(23(15)19)22(13-16-7-5-6-8-18(16)28)32-21-12-11-20(30)26(31-4)25(17)21/h5-14,29-30H,1-4H3/b22-13-.
What are the key properties of (5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
(5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 429.49 g/mol, XLogP of 6.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-fluorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 11304952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).