7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide

C15H15BrN2O — CID 5151092

IUPAC7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCNC(=O)c1c2c(nc3ccc(Br)cc13)CCCC2
InChIInChI=1S/C15H15BrN2O/c1-17-15(19)14-10-4-2-3-5-12(10)18-13-7-6-9(16)8-11(13)14/h6-8H,2-5H2,1H3,(H,17,19)
InChIKeyUPCHRJACJGZIOU-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.24
Rot. Bonds1

About 7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide

7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 5151092) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound Name7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID5151092
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCNC(=O)c1c2c(nc3ccc(Br)cc13)CCCC2
InChIInChI=1S/C15H15BrN2O/c1-17-15(19)14-10-4-2-3-5-12(10)18-13-7-6-9(16)8-11(13)14/h6-8H,2-5H2,1H3,(H,17,19)
InChIKeyUPCHRJACJGZIOU-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of 7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 5151092) is 7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for 7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for 7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide is CNC(=O)c1c2c(nc3ccc(Br)cc13)CCCC2.
What is the InChIKey of 7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is UPCHRJACJGZIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-17-15(19)14-10-4-2-3-5-12(10)18-13-7-6-9(16)8-11(13)14/h6-8H,2-5H2,1H3,(H,17,19).
What are the key properties of 7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 5151092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).