9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one

C22H20BrNO — CID 139068103

IUPAC9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one
SMILESCc1ccc2nc3c(c(-c4ccc(Br)cc4)c2c1)C(=O)CC(C)(C)C3
InChIInChI=1S/C22H20BrNO/c1-13-4-9-17-16(10-13)20(14-5-7-15(23)8-6-14)21-18(24-17)11-22(2,3)12-19(21)25/h4-10H,11-12H2,1-3H3
InChIKeyCIUQDIGAGQIWKL-UHFFFAOYSA-N
MW394.31 g/mol
LogP6.13
Rot. Bonds1

About 9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one

9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one (PubChem CID 139068103) has the molecular formula C22H20BrNO and a molecular weight of 394.31 g/mol. Its IUPAC name is 9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one.

Molecular Properties

Compound Name9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one
PubChem CID139068103
Molecular FormulaC22H20BrNO
Molecular Weight394.31 g/mol
Exact Mass393.07
IUPAC Name9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one
SMILESCc1ccc2nc3c(c(-c4ccc(Br)cc4)c2c1)C(=O)CC(C)(C)C3
InChIInChI=1S/C22H20BrNO/c1-13-4-9-17-16(10-13)20(14-5-7-15(23)8-6-14)21-18(24-17)11-22(2,3)12-19(21)25/h4-10H,11-12H2,1-3H3
InChIKeyCIUQDIGAGQIWKL-UHFFFAOYSA-N
XLogP6.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one?
The IUPAC name of 9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one (CID 139068103) is 9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one.
What is the SMILES notation for 9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one?
The canonical SMILES for 9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one is Cc1ccc2nc3c(c(-c4ccc(Br)cc4)c2c1)C(=O)CC(C)(C)C3.
What is the InChIKey of 9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one?
The InChIKey is CIUQDIGAGQIWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO/c1-13-4-9-17-16(10-13)20(14-5-7-15(23)8-6-14)21-18(24-17)11-22(2,3)12-19(21)25/h4-10H,11-12H2,1-3H3.
What are the key properties of 9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one?
9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one has a molecular weight of 394.31 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-3,3,7-trimethyl-2,4-dihydroacridin-1-one is sourced from PubChem (CID 139068103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).