N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine

C38H36N4 — CID 72703488

IUPACN-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine
SMILESc1ccc(-c2ccc(/N=c3\ccn(CCCN4CCCCC4)c4cc(-c5cnc6ccccc6c5)ccc34)cc2)cc1
InChIInChI=1S/C38H36N4/c1-3-10-29(11-4-1)30-14-17-34(18-15-30)40-37-20-25-42(24-9-23-41-21-7-2-8-22-41)38-27-31(16-19-35(37)38)33-26-32-12-5-6-13-36(32)39-28-33/h1,3-6,10-20,25-28H,2,7-9,21-24H2/b40-37+
InChIKeyIIVPTCUUPYVZPM-UKRDSVFVSA-N
MW548.73 g/mol
LogP8.63
Rot. Bonds7

About N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine

N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine (PubChem CID 72703488) has the molecular formula C38H36N4 and a molecular weight of 548.73 g/mol. Its IUPAC name is N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine
PubChem CID72703488
Molecular FormulaC38H36N4
Molecular Weight548.73 g/mol
Exact Mass548.29
IUPAC NameN-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine
SMILESc1ccc(-c2ccc(/N=c3\ccn(CCCN4CCCCC4)c4cc(-c5cnc6ccccc6c5)ccc34)cc2)cc1
InChIInChI=1S/C38H36N4/c1-3-10-29(11-4-1)30-14-17-34(18-15-30)40-37-20-25-42(24-9-23-41-21-7-2-8-22-41)38-27-31(16-19-35(37)38)33-26-32-12-5-6-13-36(32)39-28-33/h1,3-6,10-20,25-28H,2,7-9,21-24H2/b40-37+
InChIKeyIIVPTCUUPYVZPM-UKRDSVFVSA-N
XLogP8.63
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.73
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine?
The IUPAC name of N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine (CID 72703488) is N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine.
What is the SMILES notation for N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine?
The canonical SMILES for N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine is c1ccc(-c2ccc(/N=c3\ccn(CCCN4CCCCC4)c4cc(-c5cnc6ccccc6c5)ccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine?
The InChIKey is IIVPTCUUPYVZPM-UKRDSVFVSA-N. The full InChI is InChI=1S/C38H36N4/c1-3-10-29(11-4-1)30-14-17-34(18-15-30)40-37-20-25-42(24-9-23-41-21-7-2-8-22-41)38-27-31(16-19-35(37)38)33-26-32-12-5-6-13-36(32)39-28-33/h1,3-6,10-20,25-28H,2,7-9,21-24H2/b40-37+.
What are the key properties of N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine?
N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine has a molecular weight of 548.73 g/mol, XLogP of 8.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine is sourced from PubChem (CID 72703488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).