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

C20H24N2 — CID 23820479

IUPAC4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(CCc3ccccc3)c3c1CCC3)CCCC2
InChIInChI=1S/C20H24N2/c21-20-16-9-4-5-11-18(16)22(19-12-6-10-17(19)20)14-13-15-7-2-1-3-8-15/h1-3,7-8,21H,4-6,9-14H2/b21-20-
InChIKeyIXVYKJDHPJGDHB-MRCUWXFGSA-N
MW292.43 g/mol
LogP3.58
Rot. Bonds3

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

4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (PubChem CID 23820479) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.

Molecular Properties

Compound Name4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
PubChem CID23820479
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(CCc3ccccc3)c3c1CCC3)CCCC2
InChIInChI=1S/C20H24N2/c21-20-16-9-4-5-11-18(16)22(19-12-6-10-17(19)20)14-13-15-7-2-1-3-8-15/h1-3,7-8,21H,4-6,9-14H2/b21-20-
InChIKeyIXVYKJDHPJGDHB-MRCUWXFGSA-N
XLogP3.58
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The IUPAC name of 4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (CID 23820479) is 4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.
What is the SMILES notation for 4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The canonical SMILES for 4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is [H]/N=c1/c2c(n(CCc3ccccc3)c3c1CCC3)CCCC2.
What is the InChIKey of 4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The InChIKey is IXVYKJDHPJGDHB-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H24N2/c21-20-16-9-4-5-11-18(16)22(19-12-6-10-17(19)20)14-13-15-7-2-1-3-8-15/h1-3,7-8,21H,4-6,9-14H2/b21-20-.
What are the key properties of 4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine has a molecular weight of 292.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is sourced from PubChem (CID 23820479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).