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

C35H41NO3 — CID 11295406

IUPAC(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C35H41NO3/c1-20-19-35(8,9)36-25-12-11-24-30(29(20)25)28(39-27-14-13-26(37)32(38-10)31(24)27)17-21-15-22(33(2,3)4)18-23(16-21)34(5,6)7/h11-19,36-37H,1-10H3/b28-17-
InChIKeyBGLLEMWYIFVVKK-QRQIAZFYSA-N
MW523.72 g/mol
LogP9.16
Rot. Bonds2

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

(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 11295406) has the molecular formula C35H41NO3 and a molecular weight of 523.72 g/mol. Its IUPAC name is (5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID11295406
Molecular FormulaC35H41NO3
Molecular Weight523.72 g/mol
Exact Mass523.31
IUPAC Name(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C35H41NO3/c1-20-19-35(8,9)36-25-12-11-24-30(29(20)25)28(39-27-14-13-26(37)32(38-10)31(24)27)17-21-15-22(33(2,3)4)18-23(16-21)34(5,6)7/h11-19,36-37H,1-10H3/b28-17-
InChIKeyBGLLEMWYIFVVKK-QRQIAZFYSA-N
XLogP9.16
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.72
LogP ≤ 59.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11453616
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-(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-(2,2-difluoroethoxy)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11340817
(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11213215
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
10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 91520703
(5Z)-5-[[3-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienoxy]phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 143098331
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
[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-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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (CID 11295406) is (5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is BGLLEMWYIFVVKK-QRQIAZFYSA-N. The full InChI is InChI=1S/C35H41NO3/c1-20-19-35(8,9)36-25-12-11-24-30(29(20)25)28(39-27-14-13-26(37)32(38-10)31(24)27)17-21-15-22(33(2,3)4)18-23(16-21)34(5,6)7/h11-19,36-37H,1-10H3/b28-17-.
What are the key properties of (5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 523.72 g/mol, XLogP of 9.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 11295406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).