1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron

C23H31FeN3O2 — CID 88751664

IUPAC1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron
SMILESCC(COc1ccc2cc3ccc(OCC(C)N(C)C)cc3nc2c1)N(C)C.[Fe]
InChIInChI=1S/C23H31N3O2.Fe/c1-16(25(3)4)14-27-20-9-7-18-11-19-8-10-21(28-15-17(2)26(5)6)13-23(19)24-22(18)12-20;/h7-13,16-17H,14-15H2,1-6H3;
InChIKeyHYKUZGJGHHPPRN-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.04
Rot. Bonds8

About 1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron

1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron (PubChem CID 88751664) has the molecular formula C23H31FeN3O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron.

Molecular Properties

Compound Name1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron
PubChem CID88751664
Molecular FormulaC23H31FeN3O2
Molecular Weight437.37 g/mol
Exact Mass437.18
IUPAC Name1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron
SMILESCC(COc1ccc2cc3ccc(OCC(C)N(C)C)cc3nc2c1)N(C)C.[Fe]
InChIInChI=1S/C23H31N3O2.Fe/c1-16(25(3)4)14-27-20-9-7-18-11-19-8-10-21(28-15-17(2)26(5)6)13-23(19)24-22(18)12-20;/h7-13,16-17H,14-15H2,1-6H3;
InChIKeyHYKUZGJGHHPPRN-UHFFFAOYSA-N
XLogP4.04
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron?
The IUPAC name of 1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron (CID 88751664) is 1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron.
What is the SMILES notation for 1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron?
The canonical SMILES for 1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron is CC(COc1ccc2cc3ccc(OCC(C)N(C)C)cc3nc2c1)N(C)C.[Fe].
What is the InChIKey of 1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron?
The InChIKey is HYKUZGJGHHPPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.Fe/c1-16(25(3)4)14-27-20-9-7-18-11-19-8-10-21(28-15-17(2)26(5)6)13-23(19)24-22(18)12-20;/h7-13,16-17H,14-15H2,1-6H3;.
What are the key properties of 1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron?
1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron has a molecular weight of 437.37 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron is sourced from PubChem (CID 88751664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).