1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone

C15H14BrNO — CID 82451324

IUPAC1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone
SMILESCC(=O)c1c2c(nc3ccc(Br)cc13)CCCC2
InChIInChI=1S/C15H14BrNO/c1-9(18)15-11-4-2-3-5-13(11)17-14-7-6-10(16)8-12(14)15/h6-8H,2-5H2,1H3
InChIKeyJBUGXNYBERPNDP-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.08
Rot. Bonds1

About 1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone

1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone (PubChem CID 82451324) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone
PubChem CID82451324
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone
SMILESCC(=O)c1c2c(nc3ccc(Br)cc13)CCCC2
InChIInChI=1S/C15H14BrNO/c1-9(18)15-11-4-2-3-5-13(11)17-14-7-6-10(16)8-12(14)15/h6-8H,2-5H2,1H3
InChIKeyJBUGXNYBERPNDP-UHFFFAOYSA-N
XLogP4.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
CID 82451979
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62251532
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 82450560
7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 55192211
2-(7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propan-2-amine
CID 82451312
7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 865221
7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 61358131
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366
2-bromo-3-fluoro-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
CID 63462003
N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 21203854
N-(2-acetamidoethyl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799636

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone?
The IUPAC name of 1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone (CID 82451324) is 1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone.
What is the SMILES notation for 1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone?
The canonical SMILES for 1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone is CC(=O)c1c2c(nc3ccc(Br)cc13)CCCC2.
What is the InChIKey of 1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone?
The InChIKey is JBUGXNYBERPNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-9(18)15-11-4-2-3-5-13(11)17-14-7-6-10(16)8-12(14)15/h6-8H,2-5H2,1H3.
What are the key properties of 1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone?
1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone has a molecular weight of 304.19 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone is sourced from PubChem (CID 82451324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).