6,8-dichloro-1,2,3,4-tetrahydroacridine

C13H11Cl2N — CID 151486682

IUPAC6,8-dichloro-1,2,3,4-tetrahydroacridine
SMILESClc1cc(Cl)c2cc3c(nc2c1)CCCC3
InChIInChI=1S/C13H11Cl2N/c14-9-6-11(15)10-5-8-3-1-2-4-12(8)16-13(10)7-9/h5-7H,1-4H2
InChIKeyPNPKLGJARUSSQP-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.42
Rot. Bonds

About 6,8-dichloro-1,2,3,4-tetrahydroacridine

6,8-dichloro-1,2,3,4-tetrahydroacridine (PubChem CID 151486682) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 6,8-dichloro-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name6,8-dichloro-1,2,3,4-tetrahydroacridine
PubChem CID151486682
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name6,8-dichloro-1,2,3,4-tetrahydroacridine
SMILESClc1cc(Cl)c2cc3c(nc2c1)CCCC3
InChIInChI=1S/C13H11Cl2N/c14-9-6-11(15)10-5-8-3-1-2-4-12(8)16-13(10)7-9/h5-7H,1-4H2
InChIKeyPNPKLGJARUSSQP-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1,2,3,4-tetrahydroacridine?
The IUPAC name of 6,8-dichloro-1,2,3,4-tetrahydroacridine (CID 151486682) is 6,8-dichloro-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 6,8-dichloro-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 6,8-dichloro-1,2,3,4-tetrahydroacridine is Clc1cc(Cl)c2cc3c(nc2c1)CCCC3.
What is the InChIKey of 6,8-dichloro-1,2,3,4-tetrahydroacridine?
The InChIKey is PNPKLGJARUSSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c14-9-6-11(15)10-5-8-3-1-2-4-12(8)16-13(10)7-9/h5-7H,1-4H2.
What are the key properties of 6,8-dichloro-1,2,3,4-tetrahydroacridine?
6,8-dichloro-1,2,3,4-tetrahydroacridine has a molecular weight of 252.14 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 151486682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).