6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine

C22H19ClN2O — CID 44531569

IUPAC6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCc3ccccc3)c2c1
InChIInChI=1S/C22H19ClN2O/c1-26-17-8-10-20-19(14-17)22(18-9-7-16(23)13-21(18)25-20)24-12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H,24,25)
InChIKeyYSPIBNBMHFZRID-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.70
Rot. Bonds5

About 6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine

6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine (PubChem CID 44531569) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine.

Molecular Properties

Compound Name6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine
PubChem CID44531569
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCc3ccccc3)c2c1
InChIInChI=1S/C22H19ClN2O/c1-26-17-8-10-20-19(14-17)22(18-9-7-16(23)13-21(18)25-20)24-12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H,24,25)
InChIKeyYSPIBNBMHFZRID-UHFFFAOYSA-N
XLogP5.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.70
H-Bond Donors ≤ 51
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 6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine?
The IUPAC name of 6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine (CID 44531569) is 6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine.
What is the SMILES notation for 6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine?
The canonical SMILES for 6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine is COc1ccc2nc3cc(Cl)ccc3c(NCCc3ccccc3)c2c1.
What is the InChIKey of 6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine?
The InChIKey is YSPIBNBMHFZRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-26-17-8-10-20-19(14-17)22(18-9-7-16(23)13-21(18)25-20)24-12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H,24,25).
What are the key properties of 6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine?
6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine has a molecular weight of 362.86 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-N-(2-phenylethyl)acridin-9-amine is sourced from PubChem (CID 44531569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).