9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one

C19H15BrN2O — CID 167530825

IUPAC9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one
SMILESNc1c2c(nc3ccc(Br)cc13)CC(c1ccccc1)CC2=O
InChIInChI=1S/C19H15BrN2O/c20-13-6-7-15-14(10-13)19(21)18-16(22-15)8-12(9-17(18)23)11-4-2-1-3-5-11/h1-7,10,12H,8-9H2,(H2,21,22)
InChIKeyIRYBEVCGWGIWAK-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.49
Rot. Bonds1

About 9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one

9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one (PubChem CID 167530825) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is 9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one.

Molecular Properties

Compound Name9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one
PubChem CID167530825
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one
SMILESNc1c2c(nc3ccc(Br)cc13)CC(c1ccccc1)CC2=O
InChIInChI=1S/C19H15BrN2O/c20-13-6-7-15-14(10-13)19(21)18-16(22-15)8-12(9-17(18)23)11-4-2-1-3-5-11/h1-7,10,12H,8-9H2,(H2,21,22)
InChIKeyIRYBEVCGWGIWAK-UHFFFAOYSA-N
XLogP4.49
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one?
The IUPAC name of 9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one (CID 167530825) is 9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one.
What is the SMILES notation for 9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one?
The canonical SMILES for 9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one is Nc1c2c(nc3ccc(Br)cc13)CC(c1ccccc1)CC2=O.
What is the InChIKey of 9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one?
The InChIKey is IRYBEVCGWGIWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O/c20-13-6-7-15-14(10-13)19(21)18-16(22-15)8-12(9-17(18)23)11-4-2-1-3-5-11/h1-7,10,12H,8-9H2,(H2,21,22).
What are the key properties of 9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one?
9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one has a molecular weight of 367.25 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one is sourced from PubChem (CID 167530825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).