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

C27H24FNO2 — CID 11015162

IUPAC(5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCOc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H24FNO2/c1-16-15-27(2,3)29-21-11-10-19-20-14-18(28)9-12-23(20)31-24(26(19)25(16)21)13-17-7-5-6-8-22(17)30-4/h5-15,29H,1-4H3/b24-13-
InChIKeyIAUDUYJHOKBQLW-CFRMEGHHSA-N
MW413.49 g/mol
LogP7.00
Rot. Bonds2

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

(5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (PubChem CID 11015162) has the molecular formula C27H24FNO2 and a molecular weight of 413.49 g/mol. Its IUPAC name is (5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
PubChem CID11015162
Molecular FormulaC27H24FNO2
Molecular Weight413.49 g/mol
Exact Mass413.18
IUPAC Name(5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCOc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H24FNO2/c1-16-15-27(2,3)29-21-11-10-19-20-14-18(28)9-12-23(20)31-24(26(19)25(16)21)13-17-7-5-6-8-22(17)30-4/h5-15,29H,1-4H3/b24-13-
InChIKeyIAUDUYJHOKBQLW-CFRMEGHHSA-N
XLogP7.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.49
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The IUPAC name of (5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (CID 11015162) is (5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for (5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for (5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is COc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The InChIKey is IAUDUYJHOKBQLW-CFRMEGHHSA-N. The full InChI is InChI=1S/C27H24FNO2/c1-16-15-27(2,3)29-21-11-10-19-20-14-18(28)9-12-23(20)31-24(26(19)25(16)21)13-17-7-5-6-8-22(17)30-4/h5-15,29H,1-4H3/b24-13-.
What are the key properties of (5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
(5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline has a molecular weight of 413.49 g/mol, XLogP of 7.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-9-fluoro-5-[(2-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 11015162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).