5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C16H17NO2 — CID 60985060

IUPAC5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCc1ccc2c(C(=O)O)c3c(nc2c1C)CCCC3
InChIInChI=1S/C16H17NO2/c1-9-7-8-12-14(16(18)19)11-5-3-4-6-13(11)17-15(12)10(9)2/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyADKDHRWQSCQGIH-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.43
Rot. Bonds1

About 5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 60985060) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID60985060
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCc1ccc2c(C(=O)O)c3c(nc2c1C)CCCC3
InChIInChI=1S/C16H17NO2/c1-9-7-8-12-14(16(18)19)11-5-3-4-6-13(11)17-15(12)10(9)2/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyADKDHRWQSCQGIH-UHFFFAOYSA-N
XLogP3.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
CID 82450648
1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
CID 63462653
7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 55192211
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 82450560
2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82450693
6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 114257958
N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine
CID 82450662
4,7,8-trimethylquinoline-2-carboxylic acid
CID 82574760
6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid
CID 54948814
7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 865221

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 60985060) is 5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is Cc1ccc2c(C(=O)O)c3c(nc2c1C)CCCC3.
What is the InChIKey of 5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is ADKDHRWQSCQGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-9-7-8-12-14(16(18)19)11-5-3-4-6-13(11)17-15(12)10(9)2/h7-8H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 60985060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).