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

C28H26N2O4 — CID 91520703

IUPAC10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1ccccc1CN=O)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H26N2O4/c1-16-14-28(2,3)30-20-10-9-19-25(24(16)20)23(13-17-7-5-6-8-18(17)15-29-32)34-22-12-11-21(31)27(33-4)26(19)22/h5-14,30-31H,15H2,1-4H3
InChIKeyBHYAEHUDODPUQH-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.83
Rot. Bonds4

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

10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 91520703) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID91520703
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1ccccc1CN=O)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H26N2O4/c1-16-14-28(2,3)30-20-10-9-19-25(24(16)20)23(13-17-7-5-6-8-18(17)15-29-32)34-22-12-11-21(31)27(33-4)26(19)22/h5-14,30-31H,15H2,1-4H3
InChIKeyBHYAEHUDODPUQH-UHFFFAOYSA-N
XLogP6.83
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol with MolForge

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Related Compounds

(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11213215
(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-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11453616
(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11295406
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
[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
(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)-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
10-methoxy-2,2,4-trimethyl-5-[(3-thiophen-3-ylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 72753654
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-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 158518309

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of 10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol (CID 91520703) is 10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for 10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for 10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1ccccc1CN=O)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of 10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is BHYAEHUDODPUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-16-14-28(2,3)30-20-10-9-19-25(24(16)20)23(13-17-7-5-6-8-18(17)15-29-32)34-22-12-11-21(31)27(33-4)26(19)22/h5-14,30-31H,15H2,1-4H3.
What are the key properties of 10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 454.53 g/mol, XLogP of 6.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 91520703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).