N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride

C21H20ClN3 — CID 14724160

IUPACN-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
SMILESCl.c1ccc2c(c1)ccn2Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H19N3.ClH/c1-6-12-20-15(7-1)13-14-24(20)23-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;/h1-2,4,6-8,10,12-14H,3,5,9,11H2,(H,22,23);1H
InChIKeySPZFDNWELSKRIG-UHFFFAOYSA-N
MW349.87 g/mol
LogP5.37
Rot. Bonds2

About N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride

N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride (PubChem CID 14724160) has the molecular formula C21H20ClN3 and a molecular weight of 349.87 g/mol. Its IUPAC name is N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
PubChem CID14724160
Molecular FormulaC21H20ClN3
Molecular Weight349.87 g/mol
Exact Mass349.13
IUPAC NameN-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
SMILESCl.c1ccc2c(c1)ccn2Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H19N3.ClH/c1-6-12-20-15(7-1)13-14-24(20)23-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;/h1-2,4,6-8,10,12-14H,3,5,9,11H2,(H,22,23);1H
InChIKeySPZFDNWELSKRIG-UHFFFAOYSA-N
XLogP5.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.87
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The IUPAC name of N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride (CID 14724160) is N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride.
What is the SMILES notation for N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The canonical SMILES for N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride is Cl.c1ccc2c(c1)ccn2Nc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The InChIKey is SPZFDNWELSKRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3.ClH/c1-6-12-20-15(7-1)13-14-24(20)23-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;/h1-2,4,6-8,10,12-14H,3,5,9,11H2,(H,22,23);1H.
What are the key properties of N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-indol-1-yl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride is sourced from PubChem (CID 14724160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).