7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C15H14BrNO2 — CID 55192211

IUPAC7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCc1cc(Br)cc2c(C(=O)O)c3c(nc12)CCCC3
InChIInChI=1S/C15H14BrNO2/c1-8-6-9(16)7-11-13(15(18)19)10-4-2-3-5-12(10)17-14(8)11/h6-7H,2-5H2,1H3,(H,18,19)
InChIKeyCRTYUNQNTYPJTP-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.88
Rot. Bonds1

About 7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 55192211) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID55192211
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCc1cc(Br)cc2c(C(=O)O)c3c(nc12)CCCC3
InChIInChI=1S/C15H14BrNO2/c1-8-6-9(16)7-11-13(15(18)19)10-4-2-3-5-12(10)17-14(8)11/h6-7H,2-5H2,1H3,(H,18,19)
InChIKeyCRTYUNQNTYPJTP-UHFFFAOYSA-N
XLogP3.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 65046431
5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 60985060
(7-bromo-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 63482059
(2-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 63481881
6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid
CID 60985694
7-bromo-N,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202889
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
5,7-dibromo-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63462327
1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
CID 63462653
1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone
CID 82451324
7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 61358131
7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 82451849

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 55192211) is 7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is Cc1cc(Br)cc2c(C(=O)O)c3c(nc12)CCCC3.
What is the InChIKey of 7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is CRTYUNQNTYPJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-8-6-9(16)7-11-13(15(18)19)10-4-2-3-5-12(10)17-14(8)11/h6-7H,2-5H2,1H3,(H,18,19).
What are the key properties of 7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 320.19 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 55192211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).