N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine

C24H21N3O — CID 45112907

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine
SMILESCOc1cccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc12
InChIInChI=1S/C24H21N3O/c1-28-22-12-6-9-19-23(18-8-3-5-11-21(18)27-24(19)22)25-14-13-16-15-26-20-10-4-2-7-17(16)20/h2-12,15,26H,13-14H2,1H3,(H,25,27)
InChIKeyVDXZGBDLAWWJHR-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.53
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine

N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine (PubChem CID 45112907) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine
PubChem CID45112907
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine
SMILESCOc1cccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc12
InChIInChI=1S/C24H21N3O/c1-28-22-12-6-9-19-23(18-8-3-5-11-21(18)27-24(19)22)25-14-13-16-15-26-20-10-4-2-7-17(16)20/h2-12,15,26H,13-14H2,1H3,(H,25,27)
InChIKeyVDXZGBDLAWWJHR-UHFFFAOYSA-N
XLogP5.53
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', '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 N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine (CID 45112907) is N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine is COc1cccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine?
The InChIKey is VDXZGBDLAWWJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-28-22-12-6-9-19-23(18-8-3-5-11-21(18)27-24(19)22)25-14-13-16-15-26-20-10-4-2-7-17(16)20/h2-12,15,26H,13-14H2,1H3,(H,25,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine?
N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine has a molecular weight of 367.45 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-methoxyacridin-9-amine is sourced from PubChem (CID 45112907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).