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

C28H26FNO3 — CID 24816375

IUPAC(5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H26FNO3/c1-15-7-6-8-17(26(15)29)13-22-24-18(25-21(33-22)12-11-20(31)27(25)32-5)9-10-19-23(24)16(2)14-28(3,4)30-19/h6-14,30-31H,1-5H3/b22-13-
InChIKeyACYYHAZVNHMRMQ-XKZIYDEJSA-N
MW443.52 g/mol
LogP7.01
Rot. Bonds2

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

(5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 24816375) has the molecular formula C28H26FNO3 and a molecular weight of 443.52 g/mol. Its IUPAC name is (5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID24816375
Molecular FormulaC28H26FNO3
Molecular Weight443.52 g/mol
Exact Mass443.19
IUPAC Name(5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H26FNO3/c1-15-7-6-8-17(26(15)29)13-22-24-18(25-21(33-22)12-11-20(31)27(25)32-5)9-10-19-23(24)16(2)14-28(3,4)30-19/h6-14,30-31H,1-5H3/b22-13-
InChIKeyACYYHAZVNHMRMQ-XKZIYDEJSA-N
XLogP7.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 57.01
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-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (CID 24816375) is (5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is ACYYHAZVNHMRMQ-XKZIYDEJSA-N. The full InChI is InChI=1S/C28H26FNO3/c1-15-7-6-8-17(26(15)29)13-22-24-18(25-21(33-22)12-11-20(31)27(25)32-5)9-10-19-23(24)16(2)14-28(3,4)30-19/h6-14,30-31H,1-5H3/b22-13-.
What are the key properties of (5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
(5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 443.52 g/mol, XLogP of 7.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-fluoro-3-methylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 24816375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).