7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C15H14ClNO2 — CID 4713567

IUPAC7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCCc2c1nc1ccc(Cl)cc1c2C(=O)O
InChIInChI=1S/C15H14ClNO2/c1-8-3-2-4-10-13(15(18)19)11-7-9(16)5-6-12(11)17-14(8)10/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyUADOREKMUUYHQJ-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.03
Rot. Bonds1

About 7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 4713567) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID4713567
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCCc2c1nc1ccc(Cl)cc1c2C(=O)O
InChIInChI=1S/C15H14ClNO2/c1-8-3-2-4-10-13(15(18)19)11-7-9(16)5-6-12(11)17-14(8)10/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyUADOREKMUUYHQJ-UHFFFAOYSA-N
XLogP4.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 4713567) is 7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is CC1CCCc2c1nc1ccc(Cl)cc1c2C(=O)O.
What is the InChIKey of 7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is UADOREKMUUYHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-8-3-2-4-10-13(15(18)19)11-7-9(16)5-6-12(11)17-14(8)10/h5-8H,2-4H2,1H3,(H,18,19).
What are the key properties of 7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 275.74 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 4713567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).