9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one

C15H14ClNO3 — CID 144887069

IUPAC9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one
SMILESCOCOc1ccc2nc3c(c(Cl)c2c1)C(=O)CCC3
InChIInChI=1S/C15H14ClNO3/c1-19-8-20-9-5-6-11-10(7-9)15(16)14-12(17-11)3-2-4-13(14)18/h5-7H,2-4,8H2,1H3
InChIKeyJNRQRXHLIZGTKR-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.39
Rot. Bonds3

About 9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one

9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one (PubChem CID 144887069) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one.

Molecular Properties

Compound Name9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one
PubChem CID144887069
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one
SMILESCOCOc1ccc2nc3c(c(Cl)c2c1)C(=O)CCC3
InChIInChI=1S/C15H14ClNO3/c1-19-8-20-9-5-6-11-10(7-9)15(16)14-12(17-11)3-2-4-13(14)18/h5-7H,2-4,8H2,1H3
InChIKeyJNRQRXHLIZGTKR-UHFFFAOYSA-N
XLogP3.39
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one?
The IUPAC name of 9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one (CID 144887069) is 9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one.
What is the SMILES notation for 9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one?
The canonical SMILES for 9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one is COCOc1ccc2nc3c(c(Cl)c2c1)C(=O)CCC3.
What is the InChIKey of 9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one?
The InChIKey is JNRQRXHLIZGTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-8-20-9-5-6-11-10(7-9)15(16)14-12(17-11)3-2-4-13(14)18/h5-7H,2-4,8H2,1H3.
What are the key properties of 9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one?
9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one has a molecular weight of 291.73 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7-(methoxymethoxy)-3,4-dihydro-2H-acridin-1-one is sourced from PubChem (CID 144887069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).