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

C19H22N2 — CID 828168

IUPAC4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3ccccc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H22N2/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/b20-19-
InChIKeyVPZZXUHEZBSFJE-VXPUYCOJSA-N
MW278.40 g/mol
LogP3.38
Rot. Bonds2

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

4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (PubChem CID 828168) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.

Molecular Properties

Compound Name4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
PubChem CID828168
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3ccccc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H22N2/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/b20-19-
InChIKeyVPZZXUHEZBSFJE-VXPUYCOJSA-N
XLogP3.38
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.38
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?
The IUPAC name of 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (CID 828168) is 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.
What is the SMILES notation for 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The canonical SMILES for 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is [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?
The InChIKey is VPZZXUHEZBSFJE-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H22N2/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/b20-19-.
What are the key properties of 4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine has a molecular weight of 278.40 g/mol, XLogP of 3.38, 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 is sourced from PubChem (CID 828168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).