6-chloro-2,3-dimethoxyacridine-9-carbonitrile

C16H11ClN2O2 — CID 54767546

IUPAC6-chloro-2,3-dimethoxyacridine-9-carbonitrile
SMILESCOc1cc2nc3cc(Cl)ccc3c(C#N)c2cc1OC
InChIInChI=1S/C16H11ClN2O2/c1-20-15-6-11-12(8-18)10-4-3-9(17)5-13(10)19-14(11)7-16(15)21-2/h3-7H,1-2H3
InChIKeyVWUIXGNEJOISCL-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.93
Rot. Bonds2

About 6-chloro-2,3-dimethoxyacridine-9-carbonitrile

6-chloro-2,3-dimethoxyacridine-9-carbonitrile (PubChem CID 54767546) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 6-chloro-2,3-dimethoxyacridine-9-carbonitrile.

Molecular Properties

Compound Name6-chloro-2,3-dimethoxyacridine-9-carbonitrile
PubChem CID54767546
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name6-chloro-2,3-dimethoxyacridine-9-carbonitrile
SMILESCOc1cc2nc3cc(Cl)ccc3c(C#N)c2cc1OC
InChIInChI=1S/C16H11ClN2O2/c1-20-15-6-11-12(8-18)10-4-3-9(17)5-13(10)19-14(11)7-16(15)21-2/h3-7H,1-2H3
InChIKeyVWUIXGNEJOISCL-UHFFFAOYSA-N
XLogP3.93
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-chloro-2,3-dimethoxyacridine-9-carbonitrile?
The IUPAC name of 6-chloro-2,3-dimethoxyacridine-9-carbonitrile (CID 54767546) is 6-chloro-2,3-dimethoxyacridine-9-carbonitrile.
What is the SMILES notation for 6-chloro-2,3-dimethoxyacridine-9-carbonitrile?
The canonical SMILES for 6-chloro-2,3-dimethoxyacridine-9-carbonitrile is COc1cc2nc3cc(Cl)ccc3c(C#N)c2cc1OC.
What is the InChIKey of 6-chloro-2,3-dimethoxyacridine-9-carbonitrile?
The InChIKey is VWUIXGNEJOISCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c1-20-15-6-11-12(8-18)10-4-3-9(17)5-13(10)19-14(11)7-16(15)21-2/h3-7H,1-2H3.
What are the key properties of 6-chloro-2,3-dimethoxyacridine-9-carbonitrile?
6-chloro-2,3-dimethoxyacridine-9-carbonitrile has a molecular weight of 298.73 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethoxyacridine-9-carbonitrile is sourced from PubChem (CID 54767546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).