7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione

C15H14ClNO3 — CID 623984

IUPAC7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione
SMILESCC1(C)CC(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C1
InChIInChI=1S/C15H14ClNO3/c1-15(2)6-11-13(12(18)7-15)14(19)9-5-8(16)3-4-10(9)17(11)20/h3-5,20H,6-7H2,1-2H3
InChIKeyLMJZOAJRUBOKRC-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.05
Rot. Bonds

About 7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione

7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione (PubChem CID 623984) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione.

Molecular Properties

Compound Name7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione
PubChem CID623984
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione
SMILESCC1(C)CC(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C1
InChIInChI=1S/C15H14ClNO3/c1-15(2)6-11-13(12(18)7-15)14(19)9-5-8(16)3-4-10(9)17(11)20/h3-5,20H,6-7H2,1-2H3
InChIKeyLMJZOAJRUBOKRC-UHFFFAOYSA-N
XLogP3.05
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione?
The IUPAC name of 7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione (CID 623984) is 7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione.
What is the SMILES notation for 7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione?
The canonical SMILES for 7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione is CC1(C)CC(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C1.
What is the InChIKey of 7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione?
The InChIKey is LMJZOAJRUBOKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-15(2)6-11-13(12(18)7-15)14(19)9-5-8(16)3-4-10(9)17(11)20/h3-5,20H,6-7H2,1-2H3.
What are the key properties of 7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione?
7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione has a molecular weight of 291.73 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione is sourced from PubChem (CID 623984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).