4-butoxy-7-chloro-2-methoxyacridine

C18H18ClNO2 — CID 154203361

IUPAC4-butoxy-7-chloro-2-methoxyacridine
SMILESCCCCOc1cc(OC)cc2cc3cc(Cl)ccc3nc12
InChIInChI=1S/C18H18ClNO2/c1-3-4-7-22-17-11-15(21-2)10-13-8-12-9-14(19)5-6-16(12)20-18(13)17/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyPDMGHIWXHAHQCH-UHFFFAOYSA-N
MW315.80 g/mol
LogP5.23
Rot. Bonds5

About 4-butoxy-7-chloro-2-methoxyacridine

4-butoxy-7-chloro-2-methoxyacridine (PubChem CID 154203361) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-butoxy-7-chloro-2-methoxyacridine.

Molecular Properties

Compound Name4-butoxy-7-chloro-2-methoxyacridine
PubChem CID154203361
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name4-butoxy-7-chloro-2-methoxyacridine
SMILESCCCCOc1cc(OC)cc2cc3cc(Cl)ccc3nc12
InChIInChI=1S/C18H18ClNO2/c1-3-4-7-22-17-11-15(21-2)10-13-8-12-9-14(19)5-6-16(12)20-18(13)17/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyPDMGHIWXHAHQCH-UHFFFAOYSA-N
XLogP5.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.80
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-butoxy-7-chloro-2-methoxyacridine?
The IUPAC name of 4-butoxy-7-chloro-2-methoxyacridine (CID 154203361) is 4-butoxy-7-chloro-2-methoxyacridine.
What is the SMILES notation for 4-butoxy-7-chloro-2-methoxyacridine?
The canonical SMILES for 4-butoxy-7-chloro-2-methoxyacridine is CCCCOc1cc(OC)cc2cc3cc(Cl)ccc3nc12.
What is the InChIKey of 4-butoxy-7-chloro-2-methoxyacridine?
The InChIKey is PDMGHIWXHAHQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-3-4-7-22-17-11-15(21-2)10-13-8-12-9-14(19)5-6-16(12)20-18(13)17/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 4-butoxy-7-chloro-2-methoxyacridine?
4-butoxy-7-chloro-2-methoxyacridine has a molecular weight of 315.80 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-7-chloro-2-methoxyacridine is sourced from PubChem (CID 154203361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).