6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid

C15H19NO3 — CID 115008152

IUPAC6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
SMILESCOc1ccc2c(c1)NC1CCCCC1C2C(=O)O
InChIInChI=1S/C15H19NO3/c1-19-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15(17)18/h6-8,10,12,14,16H,2-5H2,1H3,(H,17,18)
InChIKeyVFMYAJJONWVSDW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.85
Rot. Bonds2

About 6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid

6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid (PubChem CID 115008152) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
PubChem CID115008152
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
SMILESCOc1ccc2c(c1)NC1CCCCC1C2C(=O)O
InChIInChI=1S/C15H19NO3/c1-19-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15(17)18/h6-8,10,12,14,16H,2-5H2,1H3,(H,17,18)
InChIKeyVFMYAJJONWVSDW-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007906
7-methoxy-10-methyl-2,3,4,4a,9,9a-hexahydro-1H-acridine-9-carboxylic acid
CID 115008178
6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid
CID 115008080
methyl (4aR,9R,10S,10aS)-6-methoxy-10-(4-methoxyphenyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-9-carboxylate
CID 59504378
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
2-(azepan-2-yl)-5-methoxybenzoic acid
CID 12784739
7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine
CID 115008376
7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 115008380
8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007928
4-[(3aS,4R,9bR)-8-methoxy-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-4-yl]-3-ethylbenzoic acid
CID 71767440
(3R,4S)-4-(2-chloro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 155904610
2-[(3aR,9aR)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-yl]-2-amino-5-(3-methoxyphenyl)-4,5-dioxopentanoic acid
CID 90116872

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid?
The IUPAC name of 6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid (CID 115008152) is 6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid.
What is the SMILES notation for 6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid?
The canonical SMILES for 6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid is COc1ccc2c(c1)NC1CCCCC1C2C(=O)O.
What is the InChIKey of 6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid?
The InChIKey is VFMYAJJONWVSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15(17)18/h6-8,10,12,14,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid?
6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid is sourced from PubChem (CID 115008152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).