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

C19H22Cl2N2 — CID 45488697

IUPAC4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
SMILESCl.[H]/N=c1/c2c(n(Cc3ccccc3Cl)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21ClN2.ClH/c20-16-9-3-1-6-13(16)12-22-17-10-4-2-7-14(17)19(21)15-8-5-11-18(15)22;/h1,3,6,9,21H,2,4-5,7-8,10-12H2;1H/b21-19-;
InChIKeyUQTMWPVHMRXUOI-WQGAEACMSA-N
MW349.31 g/mol
LogP4.46
Rot. Bonds2

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

4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride (PubChem CID 45488697) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
PubChem CID45488697
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
SMILESCl.[H]/N=c1/c2c(n(Cc3ccccc3Cl)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21ClN2.ClH/c20-16-9-3-1-6-13(16)12-22-17-10-4-2-7-14(17)19(21)15-8-5-11-18(15)22;/h1,3,6,9,21H,2,4-5,7-8,10-12H2;1H/b21-19-;
InChIKeyUQTMWPVHMRXUOI-WQGAEACMSA-N
XLogP4.46
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride (CID 45488697) is 4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride is Cl.[H]/N=c1/c2c(n(Cc3ccccc3Cl)c3c1CCC3)CCCC2.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
The InChIKey is UQTMWPVHMRXUOI-WQGAEACMSA-N. The full InChI is InChI=1S/C19H21ClN2.ClH/c20-16-9-3-1-6-13(16)12-22-17-10-4-2-7-14(17)19(21)15-8-5-11-18(15)22;/h1,3,6,9,21H,2,4-5,7-8,10-12H2;1H/b21-19-;.
What are the key properties of 4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride has a molecular weight of 349.31 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride is sourced from PubChem (CID 45488697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).