7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid

C18H21NO2 — CID 155320047

IUPAC7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid
SMILESCC(C)(C)C1CCc2nc3ccc(C(=O)O)cc3cc2C1
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-5-7-16-13(10-14)9-12-8-11(17(20)21)4-6-15(12)19-16/h4,6,8-9,14H,5,7,10H2,1-3H3,(H,20,21)
InChIKeyGMAHHJIDIIGXKF-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.08
Rot. Bonds1

About 7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid

7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid (PubChem CID 155320047) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid.

Molecular Properties

Compound Name7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid
PubChem CID155320047
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid
SMILESCC(C)(C)C1CCc2nc3ccc(C(=O)O)cc3cc2C1
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-5-7-16-13(10-14)9-12-8-11(17(20)21)4-6-15(12)19-16/h4,6,8-9,14H,5,7,10H2,1-3H3,(H,20,21)
InChIKeyGMAHHJIDIIGXKF-UHFFFAOYSA-N
XLogP4.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 69152451
6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 158244889
1-[(6S)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]prop-2-yn-1-one
CID 155726073
6-tert-butyl-2-chloro-3-ethyl-5,6,7,8-tetrahydroquinoline
CID 82119587
2-tert-butyl-1,2,3,4-tetrahydroanthracene-9-carboxylic acid
CID 4088431
6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
CID 89208082
N-(2-aminoethyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847752
N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide
CID 143292556
3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenylpropanamide
CID 23861419
N-[(1S)-2-amino-1-(4-carbamoylphenyl)ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847821
6-tert-butyl-N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 58749884
7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
CID 143709060

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid?
The IUPAC name of 7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid (CID 155320047) is 7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid.
What is the SMILES notation for 7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid?
The canonical SMILES for 7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid is CC(C)(C)C1CCc2nc3ccc(C(=O)O)cc3cc2C1.
What is the InChIKey of 7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid?
The InChIKey is GMAHHJIDIIGXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)14-5-7-16-13(10-14)9-12-8-11(17(20)21)4-6-15(12)19-16/h4,6,8-9,14H,5,7,10H2,1-3H3,(H,20,21).
What are the key properties of 7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid?
7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid is sourced from PubChem (CID 155320047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).