1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid

C14H17NO2 — CID 25021209

IUPAC1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3c1CCCC3)CCCC2
InChIInChI=1S/C14H17NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H2,(H,16,17)
InChIKeyHPUOFLZEDURJQZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.54
Rot. Bonds1

About 1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid

1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid (PubChem CID 25021209) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid
PubChem CID25021209
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3c1CCCC3)CCCC2
InChIInChI=1S/C14H17NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H2,(H,16,17)
InChIKeyHPUOFLZEDURJQZ-UHFFFAOYSA-N
XLogP2.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cinchophen
CID 8593
2,6-Diphenylisonicotinic acid
CID 3490694
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
Acridine-9-carboxylic acid
CID 94721
2-Methylquinoline-4-carboxylic acid
CID 604442
4,5-Dimethylacridine-9-carboxylic acid
CID 348740
2-(4-Isopropylphenyl)quinoline-4-carboxylic acid
CID 623973
3-Methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid
CID 811079
1,2,3,4-Tetrahydro-9-acridinecarboxylic acid
CID 96891
7,8,9,10-Tetrahydro-6H-cyclohepta(b)quinoline-11-carboxylic acid
CID 617724
2-Ethyl-3-methyl-quinoline-4-carboxylic acid
CID 865215
2,3-diphenylquinoline-4-carboxylic Acid
CID 883168

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid?
The IUPAC name of 1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid (CID 25021209) is 1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid?
The canonical SMILES for 1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid is O=C(O)c1c2c(nc3c1CCCC3)CCCC2.
What is the InChIKey of 1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid?
The InChIKey is HPUOFLZEDURJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H2,(H,16,17).
What are the key properties of 1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid?
1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octahydroacridine-9-carboxylic acid is sourced from PubChem (CID 25021209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).