9-chloro-1,2,3,4-tetrahydroacridine

C13H12ClN — CID 21495

IUPAC9-chloro-1,2,3,4-tetrahydroacridine
SMILESClc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C13H12ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2
InChIKeyIYPJWKLHPNECFJ-UHFFFAOYSA-N
MW217.70 g/mol
LogP3.77
Rot. Bonds

About 9-chloro-1,2,3,4-tetrahydroacridine

9-chloro-1,2,3,4-tetrahydroacridine (PubChem CID 21495) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is 9-chloro-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name9-chloro-1,2,3,4-tetrahydroacridine
PubChem CID21495
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name9-chloro-1,2,3,4-tetrahydroacridine
SMILESClc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C13H12ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2
InChIKeyIYPJWKLHPNECFJ-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tacrine
CID 1935
Acridine
CID 9215
Tacrine Hydrochloride
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9-Aminoacridine
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2-Methylquinoline
CID 7060
9-Aminoacridine hydrochloride
CID 8643
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545
4-Amino-2-methylquinoline
CID 81116
3,6-Acridinediamine, hydrochloride (1:1)
CID 197873
4,7-Dichloroquinoline
CID 6866
2,4-Dimethylquinoline
CID 14536

Frequently Asked Questions

What is the IUPAC name of 9-chloro-1,2,3,4-tetrahydroacridine?
The IUPAC name of 9-chloro-1,2,3,4-tetrahydroacridine (CID 21495) is 9-chloro-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 9-chloro-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 9-chloro-1,2,3,4-tetrahydroacridine is Clc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 9-chloro-1,2,3,4-tetrahydroacridine?
The InChIKey is IYPJWKLHPNECFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2.
What are the key properties of 9-chloro-1,2,3,4-tetrahydroacridine?
9-chloro-1,2,3,4-tetrahydroacridine has a molecular weight of 217.70 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 21495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).