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

C27H25NO2 — CID 10786881

IUPAC(5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCOc1cccc(/C=C2\Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)c1
InChIInChI=1S/C27H25NO2/c1-17-16-27(2,3)28-22-13-12-21-20-10-5-6-11-23(20)30-24(26(21)25(17)22)15-18-8-7-9-19(14-18)29-4/h5-16,28H,1-4H3/b24-15-
InChIKeyGWLDFNWDVYCDFE-IWIPYMOSSA-N
MW395.50 g/mol
LogP6.86
Rot. Bonds2

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

(5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (PubChem CID 10786881) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is (5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
PubChem CID10786881
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name(5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCOc1cccc(/C=C2\Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)c1
InChIInChI=1S/C27H25NO2/c1-17-16-27(2,3)28-22-13-12-21-20-10-5-6-11-23(20)30-24(26(21)25(17)22)15-18-8-7-9-19(14-18)29-4/h5-16,28H,1-4H3/b24-15-
InChIKeyGWLDFNWDVYCDFE-IWIPYMOSSA-N
XLogP6.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.86
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)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The IUPAC name of (5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (CID 10786881) is (5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for (5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for (5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is COc1cccc(/C=C2\Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)c1.
What is the InChIKey of (5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The InChIKey is GWLDFNWDVYCDFE-IWIPYMOSSA-N. The full InChI is InChI=1S/C27H25NO2/c1-17-16-27(2,3)28-22-13-12-21-20-10-5-6-11-23(20)30-24(26(21)25(17)22)15-18-8-7-9-19(14-18)29-4/h5-16,28H,1-4H3/b24-15-.
What are the key properties of (5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
(5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline has a molecular weight of 395.50 g/mol, XLogP of 6.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 10786881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).