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

C23H19N3 — CID 2946841

IUPACN-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
SMILESc1ccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C23H19N3/c1-4-10-20-17(7-1)16(15-25-20)13-14-24-23-18-8-2-5-11-21(18)26-22-12-6-3-9-19(22)23/h1-12,15,25H,13-14H2,(H,24,26)
InChIKeyBBZAEOUKIQSLMH-UHFFFAOYSA-N
MW337.43 g/mol
LogP5.52
Rot. Bonds4

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

N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine (PubChem CID 2946841) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
PubChem CID2946841
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
SMILESc1ccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C23H19N3/c1-4-10-20-17(7-1)16(15-25-20)13-14-24-23-18-8-2-5-11-21(18)26-22-12-6-3-9-19(22)23/h1-12,15,25H,13-14H2,(H,24,26)
InChIKeyBBZAEOUKIQSLMH-UHFFFAOYSA-N
XLogP5.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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]acridin-9-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine (CID 2946841) is N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine is c1ccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine?
The InChIKey is BBZAEOUKIQSLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-4-10-20-17(7-1)16(15-25-20)13-14-24-23-18-8-2-5-11-21(18)26-22-12-6-3-9-19(22)23/h1-12,15,25H,13-14H2,(H,24,26).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine?
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine has a molecular weight of 337.43 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine is sourced from PubChem (CID 2946841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).