(5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

C26H21F2NO — CID 10982273

IUPAC(5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1F)Oc1ccc(F)cc1-3
InChIInChI=1S/C26H21F2NO/c1-15-14-26(2,3)29-21-10-9-18-19-13-17(27)8-11-22(19)30-23(25(18)24(15)21)12-16-6-4-5-7-20(16)28/h4-14,29H,1-3H3/b23-12-
InChIKeyPMTFOILKAFIZEU-FMCGGJTJSA-N
MW401.46 g/mol
LogP7.13
Rot. Bonds1

About (5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

(5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (PubChem CID 10982273) has the molecular formula C26H21F2NO and a molecular weight of 401.46 g/mol. Its IUPAC name is (5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
PubChem CID10982273
Molecular FormulaC26H21F2NO
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name(5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1F)Oc1ccc(F)cc1-3
InChIInChI=1S/C26H21F2NO/c1-15-14-26(2,3)29-21-10-9-18-19-13-17(27)8-11-22(19)30-23(25(18)24(15)21)12-16-6-4-5-7-20(16)28/h4-14,29H,1-3H3/b23-12-
InChIKeyPMTFOILKAFIZEU-FMCGGJTJSA-N
XLogP7.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.46
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The IUPAC name of (5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (CID 10982273) is (5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for (5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for (5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1F)Oc1ccc(F)cc1-3.
What is the InChIKey of (5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The InChIKey is PMTFOILKAFIZEU-FMCGGJTJSA-N. The full InChI is InChI=1S/C26H21F2NO/c1-15-14-26(2,3)29-21-10-9-18-19-13-17(27)8-11-22(19)30-23(25(18)24(15)21)12-16-6-4-5-7-20(16)28/h4-14,29H,1-3H3/b23-12-.
What are the key properties of (5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
(5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline has a molecular weight of 401.46 g/mol, XLogP of 7.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-9-fluoro-5-[(2-fluorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 10982273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).