7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C17H19NO2 — CID 82450560

IUPAC7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC(C)c1ccc2nc3c(c(C(=O)O)c2c1)CCCC3
InChIInChI=1S/C17H19NO2/c1-10(2)11-7-8-15-13(9-11)16(17(19)20)12-5-3-4-6-14(12)18-15/h7-10H,3-6H2,1-2H3,(H,19,20)
InChIKeyFJMBNSURQWHDBV-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.94
Rot. Bonds2

About 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 82450560) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID82450560
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC(C)c1ccc2nc3c(c(C(=O)O)c2c1)CCCC3
InChIInChI=1S/C17H19NO2/c1-10(2)11-7-8-15-13(9-11)16(17(19)20)12-5-3-4-6-14(12)18-15/h7-10H,3-6H2,1-2H3,(H,19,20)
InChIKeyFJMBNSURQWHDBV-UHFFFAOYSA-N
XLogP3.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82450585
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 865221
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine
CID 82450571
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366
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
(4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889985
2-bromo-3-fluoro-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
CID 63462003
2-methyl-N-[(7-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]propan-1-amine
CID 82450539
N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 53016227

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 82450560) is 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is CC(C)c1ccc2nc3c(c(C(=O)O)c2c1)CCCC3.
What is the InChIKey of 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is FJMBNSURQWHDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10(2)11-7-8-15-13(9-11)16(17(19)20)12-5-3-4-6-14(12)18-15/h7-10H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 82450560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).