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

C28H25NO5 — CID 11213215

IUPAC(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc4c1OCO4)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H25NO5/c1-15-13-28(2,3)29-18-9-8-17-24(23(15)18)22(12-16-6-5-7-21-26(16)33-14-32-21)34-20-11-10-19(30)27(31-4)25(17)20/h5-13,29-30H,14H2,1-4H3/b22-12-
InChIKeyWKAMUFODIXDKBL-UUYOSTAYSA-N
MW455.51 g/mol
LogP6.29
Rot. Bonds2

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

(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 11213215) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID11213215
Molecular FormulaC28H25NO5
Molecular Weight455.51 g/mol
Exact Mass455.17
IUPAC Name(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc4c1OCO4)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H25NO5/c1-15-13-28(2,3)29-18-9-8-17-24(23(15)18)22(12-16-6-5-7-21-26(16)33-14-32-21)34-20-11-10-19(30)27(31-4)25(17)20/h5-13,29-30H,14H2,1-4H3/b22-12-
InChIKeyWKAMUFODIXDKBL-UUYOSTAYSA-N
XLogP6.29
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 91520703
(5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11453616
(5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11212978
(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11295406
[5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone
CID 72768881
10-methoxy-2,2,4-trimethyl-5-[(3-thiophen-3-ylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 72753654
(5Z)-5-[[3-(2,2-difluoroethoxy)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11340817
2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide
CID 76587568
5-[[3-(N-hydroxy-C-methylcarbonimidoyl)thiophen-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 72782759
[2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone
CID 72968073
5-[[3-(1-hydroxybut-3-enyl)thiophen-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 72958949
(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-phenoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 11478401

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (CID 11213215) is (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc4c1OCO4)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is WKAMUFODIXDKBL-UUYOSTAYSA-N. The full InChI is InChI=1S/C28H25NO5/c1-15-13-28(2,3)29-18-9-8-17-24(23(15)18)22(12-16-6-5-7-21-26(16)33-14-32-21)34-20-11-10-19(30)27(31-4)25(17)20/h5-13,29-30H,14H2,1-4H3/b22-12-.
What are the key properties of (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 455.51 g/mol, XLogP of 6.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 11213215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).