9-chloro-2,3-dimethoxy-7-methylacridine

C16H14ClNO2 — CID 19749412

IUPAC9-chloro-2,3-dimethoxy-7-methylacridine
SMILESCOc1cc2nc3ccc(C)cc3c(Cl)c2cc1OC
InChIInChI=1S/C16H14ClNO2/c1-9-4-5-12-10(6-9)16(17)11-7-14(19-2)15(20-3)8-13(11)18-12/h4-8H,1-3H3
InChIKeyNCQVDIMYTGIWCO-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.37
Rot. Bonds2

About 9-chloro-2,3-dimethoxy-7-methylacridine

9-chloro-2,3-dimethoxy-7-methylacridine (PubChem CID 19749412) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 9-chloro-2,3-dimethoxy-7-methylacridine.

Molecular Properties

Compound Name9-chloro-2,3-dimethoxy-7-methylacridine
PubChem CID19749412
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name9-chloro-2,3-dimethoxy-7-methylacridine
SMILESCOc1cc2nc3ccc(C)cc3c(Cl)c2cc1OC
InChIInChI=1S/C16H14ClNO2/c1-9-4-5-12-10(6-9)16(17)11-7-14(19-2)15(20-3)8-13(11)18-12/h4-8H,1-3H3
InChIKeyNCQVDIMYTGIWCO-UHFFFAOYSA-N
XLogP4.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2,3-dimethoxy-7-methylacridine?
The IUPAC name of 9-chloro-2,3-dimethoxy-7-methylacridine (CID 19749412) is 9-chloro-2,3-dimethoxy-7-methylacridine.
What is the SMILES notation for 9-chloro-2,3-dimethoxy-7-methylacridine?
The canonical SMILES for 9-chloro-2,3-dimethoxy-7-methylacridine is COc1cc2nc3ccc(C)cc3c(Cl)c2cc1OC.
What is the InChIKey of 9-chloro-2,3-dimethoxy-7-methylacridine?
The InChIKey is NCQVDIMYTGIWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-9-4-5-12-10(6-9)16(17)11-7-14(19-2)15(20-3)8-13(11)18-12/h4-8H,1-3H3.
What are the key properties of 9-chloro-2,3-dimethoxy-7-methylacridine?
9-chloro-2,3-dimethoxy-7-methylacridine has a molecular weight of 287.75 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,3-dimethoxy-7-methylacridine is sourced from PubChem (CID 19749412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).