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

C19H21Cl3N2 — CID 6602959

IUPAC4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
SMILESCl.[H]/N=c1/c2c(n(Cc3ccc(Cl)c(Cl)c3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H20Cl2N2.ClH/c20-15-9-8-12(10-16(15)21)11-23-17-6-2-1-4-13(17)19(22)14-5-3-7-18(14)23;/h8-10,22H,1-7,11H2;1H/b22-19-;
InChIKeyZNAAQYDQDYOJQY-GXTSIBQPSA-N
MW383.75 g/mol
LogP5.11
Rot. Bonds2

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

4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride (PubChem CID 6602959) has the molecular formula C19H21Cl3N2 and a molecular weight of 383.75 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
PubChem CID6602959
Molecular FormulaC19H21Cl3N2
Molecular Weight383.75 g/mol
Exact Mass382.08
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
SMILESCl.[H]/N=c1/c2c(n(Cc3ccc(Cl)c(Cl)c3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H20Cl2N2.ClH/c20-15-9-8-12(10-16(15)21)11-23-17-6-2-1-4-13(17)19(22)14-5-3-7-18(14)23;/h8-10,22H,1-7,11H2;1H/b22-19-;
InChIKeyZNAAQYDQDYOJQY-GXTSIBQPSA-N
XLogP5.11
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.75
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride (CID 6602959) is 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride is Cl.[H]/N=c1/c2c(n(Cc3ccc(Cl)c(Cl)c3)c3c1CCC3)CCCC2.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
The InChIKey is ZNAAQYDQDYOJQY-GXTSIBQPSA-N. The full InChI is InChI=1S/C19H20Cl2N2.ClH/c20-15-9-8-12(10-16(15)21)11-23-17-6-2-1-4-13(17)19(22)14-5-3-7-18(14)23;/h8-10,22H,1-7,11H2;1H/b22-19-;.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride?
4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride has a molecular weight of 383.75 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride is sourced from PubChem (CID 6602959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).