9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride

C22H20ClNO2 — CID 117068960

IUPAC9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride
SMILESCOc1ccc(Cc2c3ccccc3nc3ccccc23)cc1OC.Cl
InChIInChI=1S/C22H19NO2.ClH/c1-24-21-12-11-15(14-22(21)25-2)13-18-16-7-3-5-9-19(16)23-20-10-6-4-8-17(18)20;/h3-12,14H,13H2,1-2H3;1H
InChIKeyIKFJSSABJARSSV-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.42
Rot. Bonds4

About 9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride

9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride (PubChem CID 117068960) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is 9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride.

Molecular Properties

Compound Name9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride
PubChem CID117068960
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC Name9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride
SMILESCOc1ccc(Cc2c3ccccc3nc3ccccc23)cc1OC.Cl
InChIInChI=1S/C22H19NO2.ClH/c1-24-21-12-11-15(14-22(21)25-2)13-18-16-7-3-5-9-19(16)23-20-10-6-4-8-17(18)20;/h3-12,14H,13H2,1-2H3;1H
InChIKeyIKFJSSABJARSSV-UHFFFAOYSA-N
XLogP5.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
CID 16637848
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine
CID 56846683
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
4-(acridin-9-ylmethyl)benzonitrile;hydrochloride
CID 90679767
1-[(3,4-dimethoxyphenyl)methyl]-2-oxidoisoquinolin-2-ium
CID 11000922
9-[(2-methoxy-4-nitrophenyl)methyl]acridine
CID 158713992
1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 11589588
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
5-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1,2,4-triazol-3-amine
CID 56962739
[4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine
CID 66356378
2-[(3,4-dimethoxyphenyl)methyl]furan
CID 71735507

Frequently Asked Questions

What is the IUPAC name of 9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride?
The IUPAC name of 9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride (CID 117068960) is 9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride.
What is the SMILES notation for 9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride?
The canonical SMILES for 9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride is COc1ccc(Cc2c3ccccc3nc3ccccc23)cc1OC.Cl.
What is the InChIKey of 9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride?
The InChIKey is IKFJSSABJARSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2.ClH/c1-24-21-12-11-15(14-22(21)25-2)13-18-16-7-3-5-9-19(16)23-20-10-6-4-8-17(18)20;/h3-12,14H,13H2,1-2H3;1H.
What are the key properties of 9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride?
9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride has a molecular weight of 365.86 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride is sourced from PubChem (CID 117068960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).