methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate

C15H14ClNO2 — CID 56658250

IUPACmethyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCOC(=O)c1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C15H14ClNO2/c1-19-15(18)14-10-4-2-3-5-12(10)17-13-7-6-9(16)8-11(13)14/h6-8H,2-5H2,1H3
InChIKeyUAQYOIDWDBHDAL-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.55
Rot. Bonds1

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

methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 56658250) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID56658250
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Namemethyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCOC(=O)c1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C15H14ClNO2/c1-19-15(18)14-10-4-2-3-5-12(10)17-13-7-6-9(16)8-11(13)14/h6-8H,2-5H2,1H3
InChIKeyUAQYOIDWDBHDAL-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 56658250) is methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate is COC(=O)c1c2c(nc3ccc(Cl)cc13)CCCC2.
What is the InChIKey of methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is UAQYOIDWDBHDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-19-15(18)14-10-4-2-3-5-12(10)17-13-7-6-9(16)8-11(13)14/h6-8H,2-5H2,1H3.
What are the key properties of methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate?
methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 275.74 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 56658250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).