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

C19H21ClN2 — CID 828170

IUPAC4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3ccc(Cl)cc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21ClN2/c20-14-10-8-13(9-11-14)12-22-17-6-2-1-4-15(17)19(21)16-5-3-7-18(16)22/h8-11,21H,1-7,12H2/b21-19-
InChIKeyPRKCBGNZDGQBRO-VZCXRCSSSA-N
MW312.84 g/mol
LogP4.04
Rot. Bonds2

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

4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (PubChem CID 828170) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
PubChem CID828170
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3ccc(Cl)cc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21ClN2/c20-14-10-8-13(9-11-14)12-22-17-6-2-1-4-15(17)19(21)16-5-3-7-18(16)22/h8-11,21H,1-7,12H2/b21-19-
InChIKeyPRKCBGNZDGQBRO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (CID 828170) is 4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is [H]/N=c1/c2c(n(Cc3ccc(Cl)cc3)c3c1CCC3)CCCC2.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The InChIKey is PRKCBGNZDGQBRO-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H21ClN2/c20-14-10-8-13(9-11-14)12-22-17-6-2-1-4-15(17)19(21)16-5-3-7-18(16)22/h8-11,21H,1-7,12H2/b21-19-.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
4-[(4-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-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is sourced from PubChem (CID 828170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).