6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine

C19H18ClN3 — CID 122199188

IUPAC6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESClc1ccc2c(NCc3ccccn3)c3c(nc2c1)CCCC3
InChIInChI=1S/C19H18ClN3/c20-13-8-9-16-18(11-13)23-17-7-2-1-6-15(17)19(16)22-12-14-5-3-4-10-21-14/h3-5,8-11H,1-2,6-7,12H2,(H,22,23)
InChIKeyFKNJQDQMEVFNQX-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.77
Rot. Bonds3

About 6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine

6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 122199188) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is 6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID122199188
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC Name6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESClc1ccc2c(NCc3ccccn3)c3c(nc2c1)CCCC3
InChIInChI=1S/C19H18ClN3/c20-13-8-9-16-18(11-13)23-17-7-2-1-6-15(17)19(16)22-12-14-5-3-4-10-21-14/h3-5,8-11H,1-2,6-7,12H2,(H,22,23)
InChIKeyFKNJQDQMEVFNQX-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2719
Hydroxychloroquine
CID 3652
Piperaquine
CID 122262
(+-)-Desethylhydroxychloroquine
CID 71826
4,7-Dichloroquinoline
CID 6866
(+-)-Desethylchloroquine
CID 95478
Aminoquinol
CID 5708341
(+-)-Chloroquine diphosphate
CID 83818
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Chloroquine Sulfate
CID 91441
Sontoquine
CID 66553

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 122199188) is 6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine is Clc1ccc2c(NCc3ccccn3)c3c(nc2c1)CCCC3.
What is the InChIKey of 6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is FKNJQDQMEVFNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3/c20-13-8-9-16-18(11-13)23-17-7-2-1-6-15(17)19(16)22-12-14-5-3-4-10-21-14/h3-5,8-11H,1-2,6-7,12H2,(H,22,23).
What are the key properties of 6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine?
6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 323.83 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 122199188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).