7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine

C29H30FN3 — CID 72703485

IUPAC7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESFc1ccc(-c2ccc3/c(=N/c4ccccc4)ccn(CCCN4CCCCC4)c3c2)cc1
InChIInChI=1S/C29H30FN3/c30-25-13-10-23(11-14-25)24-12-15-27-28(31-26-8-3-1-4-9-26)16-21-33(29(27)22-24)20-7-19-32-17-5-2-6-18-32/h1,3-4,8-16,21-22H,2,5-7,17-20H2/b31-28+
InChIKeyLZEOGCUUDBCMDS-CCFHIKDMSA-N
MW439.58 g/mol
LogP6.56
Rot. Bonds6

About 7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine

7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (PubChem CID 72703485) has the molecular formula C29H30FN3 and a molecular weight of 439.58 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
PubChem CID72703485
Molecular FormulaC29H30FN3
Molecular Weight439.58 g/mol
Exact Mass439.24
IUPAC Name7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESFc1ccc(-c2ccc3/c(=N/c4ccccc4)ccn(CCCN4CCCCC4)c3c2)cc1
InChIInChI=1S/C29H30FN3/c30-25-13-10-23(11-14-25)24-12-15-27-28(31-26-8-3-1-4-9-26)16-21-33(29(27)22-24)20-7-19-32-17-5-2-6-18-32/h1,3-4,8-16,21-22H,2,5-7,17-20H2/b31-28+
InChIKeyLZEOGCUUDBCMDS-CCFHIKDMSA-N
XLogP6.56
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The IUPAC name of 7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (CID 72703485) is 7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.
What is the SMILES notation for 7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The canonical SMILES for 7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is Fc1ccc(-c2ccc3/c(=N/c4ccccc4)ccn(CCCN4CCCCC4)c3c2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The InChIKey is LZEOGCUUDBCMDS-CCFHIKDMSA-N. The full InChI is InChI=1S/C29H30FN3/c30-25-13-10-23(11-14-25)24-12-15-27-28(31-26-8-3-1-4-9-26)16-21-33(29(27)22-24)20-7-19-32-17-5-2-6-18-32/h1,3-4,8-16,21-22H,2,5-7,17-20H2/b31-28+.
What are the key properties of 7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine has a molecular weight of 439.58 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is sourced from PubChem (CID 72703485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).