N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine

C30H30F3N3 — CID 72703699

IUPACN-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine
SMILESFC(F)(F)c1ccc2c(c1)/c(=N/c1ccc(-c3ccccc3)cc1)ccn2CCCN1CCCCC1
InChIInChI=1S/C30H30F3N3/c31-30(32,33)25-12-15-29-27(22-25)28(16-21-36(29)20-7-19-35-17-5-2-6-18-35)34-26-13-10-24(11-14-26)23-8-3-1-4-9-23/h1,3-4,8-16,21-22H,2,5-7,17-20H2/b34-28+
InChIKeySINGZZWVVJJFAQ-CDSHQWRTSA-N
MW489.59 g/mol
LogP7.44
Rot. Bonds6

About N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine

N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine (PubChem CID 72703699) has the molecular formula C30H30F3N3 and a molecular weight of 489.59 g/mol. Its IUPAC name is N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine
PubChem CID72703699
Molecular FormulaC30H30F3N3
Molecular Weight489.59 g/mol
Exact Mass489.24
IUPAC NameN-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine
SMILESFC(F)(F)c1ccc2c(c1)/c(=N/c1ccc(-c3ccccc3)cc1)ccn2CCCN1CCCCC1
InChIInChI=1S/C30H30F3N3/c31-30(32,33)25-12-15-29-27(22-25)28(16-21-36(29)20-7-19-35-17-5-2-6-18-35)34-26-13-10-24(11-14-26)23-8-3-1-4-9-23/h1,3-4,8-16,21-22H,2,5-7,17-20H2/b34-28+
InChIKeySINGZZWVVJJFAQ-CDSHQWRTSA-N
XLogP7.44
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.59
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine?
The IUPAC name of N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine (CID 72703699) is N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine.
What is the SMILES notation for N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine?
The canonical SMILES for N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine is FC(F)(F)c1ccc2c(c1)/c(=N/c1ccc(-c3ccccc3)cc1)ccn2CCCN1CCCCC1.
What is the InChIKey of N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine?
The InChIKey is SINGZZWVVJJFAQ-CDSHQWRTSA-N. The full InChI is InChI=1S/C30H30F3N3/c31-30(32,33)25-12-15-29-27(22-25)28(16-21-36(29)20-7-19-35-17-5-2-6-18-35)34-26-13-10-24(11-14-26)23-8-3-1-4-9-23/h1,3-4,8-16,21-22H,2,5-7,17-20H2/b34-28+.
What are the key properties of N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine?
N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine has a molecular weight of 489.59 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)quinolin-4-imine is sourced from PubChem (CID 72703699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).