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

C15H14ClNO2 — CID 63462975

IUPAC6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCc2nc3cc(Cl)ccc3c(C(=O)O)c2C1
InChIInChI=1S/C15H14ClNO2/c1-8-2-5-12-11(6-8)14(15(18)19)10-4-3-9(16)7-13(10)17-12/h3-4,7-8H,2,5-6H2,1H3,(H,18,19)
InChIKeyJVTDIHFKJXLYGX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.71
Rot. Bonds1

About 6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 63462975) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID63462975
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCc2nc3cc(Cl)ccc3c(C(=O)O)c2C1
InChIInChI=1S/C15H14ClNO2/c1-8-2-5-12-11(6-8)14(15(18)19)10-4-3-9(16)7-13(10)17-12/h3-4,7-8H,2,5-6H2,1H3,(H,18,19)
InChIKeyJVTDIHFKJXLYGX-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 43180336
(2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 865217
5,7-dibromo-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63462327
(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 2094922
7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 170264891
7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 4713567
(2R)-N-cycloheptyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 7886798
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463
2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 5004878
(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667295
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2380205

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 63462975) is 6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is CC1CCc2nc3cc(Cl)ccc3c(C(=O)O)c2C1.
What is the InChIKey of 6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is JVTDIHFKJXLYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-8-2-5-12-11(6-8)14(15(18)19)10-4-3-9(16)7-13(10)17-12/h3-4,7-8H,2,5-6H2,1H3,(H,18,19).
What are the key properties of 6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 275.74 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 63462975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).