4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride

C19H23ClN2 — CID 44522064

IUPAC4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
SMILESCl.[H]/N=c1/c2c(n(Cc3ccccc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H22N2.ClH/c20-19-15-9-4-5-11-17(15)21(18-12-6-10-16(18)19)13-14-7-2-1-3-8-14;/h1-3,7-8,20H,4-6,9-13H2;1H/b20-19-;
InChIKeyFZKLNOIACLLKED-BLTQDSCZSA-N
MW314.86 g/mol
LogP3.81
Rot. Bonds2

About 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride

4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride (PubChem CID 44522064) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride.

Molecular Properties

Compound Name4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
PubChem CID44522064
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
SMILESCl.[H]/N=c1/c2c(n(Cc3ccccc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H22N2.ClH/c20-19-15-9-4-5-11-17(15)21(18-12-6-10-16(18)19)13-14-7-2-1-3-8-14;/h1-3,7-8,20H,4-6,9-13H2;1H/b20-19-;
InChIKeyFZKLNOIACLLKED-BLTQDSCZSA-N
XLogP3.81
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
The IUPAC name of 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride (CID 44522064) is 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride.
What is the SMILES notation for 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
The canonical SMILES for 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride is Cl.[H]/N=c1/c2c(n(Cc3ccccc3)c3c1CCC3)CCCC2.
What is the InChIKey of 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
The InChIKey is FZKLNOIACLLKED-BLTQDSCZSA-N. The full InChI is InChI=1S/C19H22N2.ClH/c20-19-15-9-4-5-11-17(15)21(18-12-6-10-16(18)19)13-14-7-2-1-3-8-14;/h1-3,7-8,20H,4-6,9-13H2;1H/b20-19-;.
What are the key properties of 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride is sourced from PubChem (CID 44522064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).