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

C19H21ClN2 — CID 828173

IUPAC4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3cccc(Cl)c3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21ClN2/c20-14-6-3-5-13(11-14)12-22-17-9-2-1-7-15(17)19(21)16-8-4-10-18(16)22/h3,5-6,11,21H,1-2,4,7-10,12H2/b21-19-
InChIKeyZVECUHIVPCIEDV-VZCXRCSSSA-N
MW312.84 g/mol
LogP4.04
Rot. Bonds2

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

4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (PubChem CID 828173) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
PubChem CID828173
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3cccc(Cl)c3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21ClN2/c20-14-6-3-5-13(11-14)12-22-17-9-2-1-7-15(17)19(21)16-8-4-10-18(16)22/h3,5-6,11,21H,1-2,4,7-10,12H2/b21-19-
InChIKeyZVECUHIVPCIEDV-VZCXRCSSSA-N
XLogP4.04
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The IUPAC name of 4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (CID 828173) is 4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is [H]/N=c1/c2c(n(Cc3cccc(Cl)c3)c3c1CCC3)CCCC2.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The InChIKey is ZVECUHIVPCIEDV-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H21ClN2/c20-14-6-3-5-13(11-14)12-22-17-9-2-1-7-15(17)19(21)16-8-4-10-18(16)22/h3,5-6,11,21H,1-2,4,7-10,12H2/b21-19-.
What are the key properties of 4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine has a molecular weight of 312.84 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is sourced from PubChem (CID 828173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).