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

C19H21FN2 — CID 828174

IUPAC4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3ccc(F)cc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21FN2/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-
InChIKeyXUKKFOCDAUQWAR-VZCXRCSSSA-N
MW296.39 g/mol
LogP3.52
Rot. Bonds2

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

4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (PubChem CID 828174) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
PubChem CID828174
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3ccc(F)cc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21FN2/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-
InChIKeyXUKKFOCDAUQWAR-VZCXRCSSSA-N
XLogP3.52
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

CID 16682222
CID 16682222
CID 2857612
CID 2857612
CID 9549480
CID 9549480
CID 15945727
CID 15945727
CID 16682137
CID 16682137
CID 659366
CID 659366
CID 828168
CID 828168
CID 828170
CID 828170
CID 828173
CID 828173
CID 6603247
CID 6603247
CID 16193001
CID 16193001
CID 23820479
CID 23820479

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (CID 828174) is 4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is [H]/N=c1/c2c(n(Cc3ccc(F)cc3)c3c1CCC3)CCCC2.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The InChIKey is XUKKFOCDAUQWAR-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H21FN2/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-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine has a molecular weight of 296.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is sourced from PubChem (CID 828174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).