4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine

C21H19N3O — CID 10616345

IUPAC4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC
InChIInChI=1S/C21H19N3O/c1-22-19-12-11-14(13-20(19)25-2)23-21-15-7-3-5-9-17(15)24-18-10-6-4-8-16(18)21/h3-13,22H,1-2H3,(H,23,24)
InChIKeyAMINRPZLQRGENK-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.18
Rot. Bonds4

About 4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine

4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine (PubChem CID 10616345) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine
PubChem CID10616345
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC
InChIInChI=1S/C21H19N3O/c1-22-19-12-11-14(13-20(19)25-2)23-21-15-7-3-5-9-17(15)24-18-10-6-4-8-16(18)21/h3-13,22H,1-2H3,(H,23,24)
InChIKeyAMINRPZLQRGENK-UHFFFAOYSA-N
XLogP5.18
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'anil_NH_alk_B(3)', '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 4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine (CID 10616345) is 4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine is CNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC.
What is the InChIKey of 4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine?
The InChIKey is AMINRPZLQRGENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-22-19-12-11-14(13-20(19)25-2)23-21-15-7-3-5-9-17(15)24-18-10-6-4-8-16(18)21/h3-13,22H,1-2H3,(H,23,24).
What are the key properties of 4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine?
4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine has a molecular weight of 329.40 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 10616345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).