3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate

C25H33ClN2O6 — CID 20998830

IUPAC3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate
SMILESCCN(CC)CCC/[NH+]=c1\cc(-c2ccc(OC)cc2)oc2cc(C)cc(C)c12.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H32N2O2.ClHO4/c1-6-27(7-2)14-8-13-26-22-17-23(20-9-11-21(28-5)12-10-20)29-24-16-18(3)15-19(4)25(22)24;2-1(3,4)5/h9-12,15-17H,6-8,13-14H2,1-5H3;(H,2,3,4,5)/b26-22+;
InChIKeyZSSZUGGYLQGZIC-LIUXSCBKSA-N
MW493.00 g/mol
LogP-1.32
Rot. Bonds8

About 3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate

3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate (PubChem CID 20998830) has the molecular formula C25H33ClN2O6 and a molecular weight of 493.00 g/mol. Its IUPAC name is 3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate.

Molecular Properties

Compound Name3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate
PubChem CID20998830
Molecular FormulaC25H33ClN2O6
Molecular Weight493.00 g/mol
Exact Mass492.20
IUPAC Name3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate
SMILESCCN(CC)CCC/[NH+]=c1\cc(-c2ccc(OC)cc2)oc2cc(C)cc(C)c12.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H32N2O2.ClHO4/c1-6-27(7-2)14-8-13-26-22-17-23(20-9-11-21(28-5)12-10-20)29-24-16-18(3)15-19(4)25(22)24;2-1(3,4)5/h9-12,15-17H,6-8,13-14H2,1-5H3;(H,2,3,4,5)/b26-22+;
InChIKeyZSSZUGGYLQGZIC-LIUXSCBKSA-N
XLogP-1.32
TPSA131.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.00
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]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

[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-[3-(dimethylamino)propyl]azanium perchlorate
CID 20998909
N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 20998835
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747
butyl-[2-(2-methoxyphenyl)chromen-4-ylidene]azanium perchlorate
CID 88787029
3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium
CID 91939922
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969
1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 20998844
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran
CID 134310060
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-(3-methoxypropyl)azanium perchlorate
CID 20998908
(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium
CID 3557993

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate?
The IUPAC name of 3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate (CID 20998830) is 3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate.
What is the SMILES notation for 3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate?
The canonical SMILES for 3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate is CCN(CC)CCC/[NH+]=c1\cc(-c2ccc(OC)cc2)oc2cc(C)cc(C)c12.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate?
The InChIKey is ZSSZUGGYLQGZIC-LIUXSCBKSA-N. The full InChI is InChI=1S/C25H32N2O2.ClHO4/c1-6-27(7-2)14-8-13-26-22-17-23(20-9-11-21(28-5)12-10-20)29-24-16-18(3)15-19(4)25(22)24;2-1(3,4)5/h9-12,15-17H,6-8,13-14H2,1-5H3;(H,2,3,4,5)/b26-22+;.
What are the key properties of 3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate?
3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate has a molecular weight of 493.00 g/mol, XLogP of -1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propyl-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]azanium perchlorate is sourced from PubChem (CID 20998830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).