4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate

C22H24ClNO8 — CID 20998221

IUPAC4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate
SMILESCOc1ccc(-c2cc(=[N+]3CCOCC3)c3cc(C)ccc3o2)cc1OC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H24NO4.ClHO4/c1-15-4-6-19-17(12-15)18(23-8-10-26-11-9-23)14-21(27-19)16-5-7-20(24-2)22(13-16)25-3;2-1(3,4)5/h4-7,12-14H,8-11H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyRYDMBAVTZIHIGG-UHFFFAOYSA-M
MW465.89 g/mol
LogP-1.53
Rot. Bonds3

About 4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate

4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate (PubChem CID 20998221) has the molecular formula C22H24ClNO8 and a molecular weight of 465.89 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate
PubChem CID20998221
Molecular FormulaC22H24ClNO8
Molecular Weight465.89 g/mol
Exact Mass465.12
IUPAC Name4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate
SMILESCOc1ccc(-c2cc(=[N+]3CCOCC3)c3cc(C)ccc3o2)cc1OC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H24NO4.ClHO4/c1-15-4-6-19-17(12-15)18(23-8-10-26-11-9-23)14-21(27-19)16-5-7-20(24-2)22(13-16)25-3;2-1(3,4)5/h4-7,12-14H,8-11H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyRYDMBAVTZIHIGG-UHFFFAOYSA-M
XLogP-1.53
TPSA136.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.89
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]pyrrolidin-1-ium perchlorate
CID 20998154
1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate
CID 20998984
2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate
CID 20998297
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate
CID 20998205
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998201
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
1-[2-(4-methoxyphenyl)chromen-4-ylidene]piperidin-1-ium perchlorate
CID 86247105
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
2-[[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]amino]butanoic acid
CID 3749969
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-(3-methoxypropyl)azanium perchlorate
CID 20998908
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-[3-(dimethylamino)propyl]azanium perchlorate
CID 20998909
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate (CID 20998221) is 4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate is COc1ccc(-c2cc(=[N+]3CCOCC3)c3cc(C)ccc3o2)cc1OC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate?
The InChIKey is RYDMBAVTZIHIGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24NO4.ClHO4/c1-15-4-6-19-17(12-15)18(23-8-10-26-11-9-23)14-21(27-19)16-5-7-20(24-2)22(13-16)25-3;2-1(3,4)5/h4-7,12-14H,8-11H2,1-3H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate?
4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate has a molecular weight of 465.89 g/mol, XLogP of -1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate is sourced from PubChem (CID 20998221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).