[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate

C24H23ClN2O7 — CID 20998201

IUPAC[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
SMILESCOc1ccc(-c2c/c(=[NH+]\Cc3cccnc3)c3cc(C)ccc3o2)cc1OC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H22N2O3.ClHO4/c1-16-6-8-21-19(11-16)20(26-15-17-5-4-10-25-14-17)13-23(29-21)18-7-9-22(27-2)24(12-18)28-3;2-1(3,4)5/h4-14H,15H2,1-3H3;(H,2,3,4,5)/b26-20+;
InChIKeyLGPTXRKSDCULBZ-ZFUDNRMFSA-N
MW486.91 g/mol
LogP-1.75
Rot. Bonds5

About [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate

[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate (PubChem CID 20998201) has the molecular formula C24H23ClN2O7 and a molecular weight of 486.91 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
PubChem CID20998201
Molecular FormulaC24H23ClN2O7
Molecular Weight486.91 g/mol
Exact Mass486.12
IUPAC Name[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
SMILESCOc1ccc(-c2c/c(=[NH+]\Cc3cccnc3)c3cc(C)ccc3o2)cc1OC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H22N2O3.ClHO4/c1-16-6-8-21-19(11-16)20(26-15-17-5-4-10-25-14-17)13-23(29-21)18-7-9-22(27-2)24(12-18)28-3;2-1(3,4)5/h4-14H,15H2,1-3H3;(H,2,3,4,5)/b26-20+;
InChIKeyLGPTXRKSDCULBZ-ZFUDNRMFSA-N
XLogP-1.75
TPSA150.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.91
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998139
[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998275
[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium
CID 1193926
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate
CID 20998205
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969
[2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium tetrafluoroborate
CID 23411909
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate
CID 20998221
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-(3-methoxypropyl)azanium perchlorate
CID 20998908
[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate
CID 20998172
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-[3-(dimethylamino)propyl]azanium perchlorate
CID 20998909
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate (CID 20998201) is [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate is COc1ccc(-c2c/c(=[NH+]\Cc3cccnc3)c3cc(C)ccc3o2)cc1OC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate?
The InChIKey is LGPTXRKSDCULBZ-ZFUDNRMFSA-N. The full InChI is InChI=1S/C24H22N2O3.ClHO4/c1-16-6-8-21-19(11-16)20(26-15-17-5-4-10-25-14-17)13-23(29-21)18-7-9-22(27-2)24(12-18)28-3;2-1(3,4)5/h4-14H,15H2,1-3H3;(H,2,3,4,5)/b26-20+;.
What are the key properties of [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate?
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate has a molecular weight of 486.91 g/mol, XLogP of -1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate is sourced from PubChem (CID 20998201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).