7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine

C16H19ClN2O2 — CID 63479643

IUPAC7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCNc1c2c(nc3c(OC)cc(Cl)c(OC)c13)CCCC2
InChIInChI=1S/C16H19ClN2O2/c1-18-14-9-6-4-5-7-11(9)19-15-12(20-2)8-10(17)16(21-3)13(14)15/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyBZWLSXSXNAHXAY-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.83
Rot. Bonds3

About 7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine

7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 63479643) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID63479643
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCNc1c2c(nc3c(OC)cc(Cl)c(OC)c13)CCCC2
InChIInChI=1S/C16H19ClN2O2/c1-18-14-9-6-4-5-7-11(9)19-15-12(20-2)8-10(17)16(21-3)13(14)15/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyBZWLSXSXNAHXAY-UHFFFAOYSA-N
XLogP3.83
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine (CID 63479643) is 7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine is CNc1c2c(nc3c(OC)cc(Cl)c(OC)c13)CCCC2.
What is the InChIKey of 7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is BZWLSXSXNAHXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-18-14-9-6-4-5-7-11(9)19-15-12(20-2)8-10(17)16(21-3)13(14)15/h8H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 306.79 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 63479643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).