6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine

C19H20ClN3O — CID 44560400

IUPAC6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N3CCN(C)CC3)c2c1
InChIInChI=1S/C19H20ClN3O/c1-22-7-9-23(10-8-22)19-15-5-3-13(20)11-18(15)21-17-6-4-14(24-2)12-16(17)19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyIIPWXYDEZUANJK-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.80
Rot. Bonds2

About 6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine

6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine (PubChem CID 44560400) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine.

Molecular Properties

Compound Name6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine
PubChem CID44560400
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N3CCN(C)CC3)c2c1
InChIInChI=1S/C19H20ClN3O/c1-22-7-9-23(10-8-22)19-15-5-3-13(20)11-18(15)21-17-6-4-14(24-2)12-16(17)19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyIIPWXYDEZUANJK-UHFFFAOYSA-N
XLogP3.80
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-9-(4-methylpiperazin-1-yl)acridine?
The IUPAC name of 6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine (CID 44560400) is 6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine.
What is the SMILES notation for 6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine?
The canonical SMILES for 6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine is COc1ccc2nc3cc(Cl)ccc3c(N3CCN(C)CC3)c2c1.
What is the InChIKey of 6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine?
The InChIKey is IIPWXYDEZUANJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-22-7-9-23(10-8-22)19-15-5-3-13(20)11-18(15)21-17-6-4-14(24-2)12-16(17)19/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine?
6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine has a molecular weight of 341.84 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-9-(4-methylpiperazin-1-yl)acridine is sourced from PubChem (CID 44560400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).