7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione

C19H14ClNO3 — CID 629537

IUPAC7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione
SMILESO=C1CC(c2ccccc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C19H14ClNO3/c20-13-6-7-15-14(10-13)19(23)18-16(21(15)24)8-12(9-17(18)22)11-4-2-1-3-5-11/h1-7,10,12,24H,8-9H2
InChIKeyKNSYTOLHUVRIPV-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.80
Rot. Bonds1

About 7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione

7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione (PubChem CID 629537) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione.

Molecular Properties

Compound Name7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione
PubChem CID629537
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione
SMILESO=C1CC(c2ccccc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C19H14ClNO3/c20-13-6-7-15-14(10-13)19(23)18-16(21(15)24)8-12(9-17(18)22)11-4-2-1-3-5-11/h1-7,10,12,24H,8-9H2
InChIKeyKNSYTOLHUVRIPV-UHFFFAOYSA-N
XLogP3.80
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.80
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-phenyl-3,4-dihydro-2H-acridine-1,9-dione?
The IUPAC name of 7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione (CID 629537) is 7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione.
What is the SMILES notation for 7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione?
The canonical SMILES for 7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione is O=C1CC(c2ccccc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O.
What is the InChIKey of 7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione?
The InChIKey is KNSYTOLHUVRIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c20-13-6-7-15-14(10-13)19(23)18-16(21(15)24)8-12(9-17(18)22)11-4-2-1-3-5-11/h1-7,10,12,24H,8-9H2.
What are the key properties of 7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione?
7-chloro-10-hydroxy-3-phenyl-3,4-dihydro-2H-acridine-1,9-dione has a molecular weight of 339.78 g/mol, XLogP of 3.80, 1 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-phenyl-3,4-dihydro-2H-acridine-1,9-dione is sourced from PubChem (CID 629537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).