N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine

C22H16N2S — CID 53315556

IUPACN-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine
SMILESC(=C/c1ccnc2ccccc12)\c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C22H16N2S/c1-2-6-22-21(5-1)18(13-14-23-22)10-7-17-8-11-19(12-9-17)24-16-20-4-3-15-25-20/h1-16H/b10-7+,24-16+
InChIKeyAOLBXZCWNSLYQG-USOSQLFRSA-N
MW340.45 g/mol
LogP6.22
Rot. Bonds4

About N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine

N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine (PubChem CID 53315556) has the molecular formula C22H16N2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine
PubChem CID53315556
Molecular FormulaC22H16N2S
Molecular Weight340.45 g/mol
Exact Mass340.10
IUPAC NameN-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine
SMILESC(=C/c1ccnc2ccccc12)\c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C22H16N2S/c1-2-6-22-21(5-1)18(13-14-23-22)10-7-17-8-11-19(12-9-17)24-16-20-4-3-15-25-20/h1-16H/b10-7+,24-16+
InChIKeyAOLBXZCWNSLYQG-USOSQLFRSA-N
XLogP6.22
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine?
The IUPAC name of N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine (CID 53315556) is N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine is C(=C/c1ccnc2ccccc12)\c1ccc(/N=C/c2cccs2)cc1.
What is the InChIKey of N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine?
The InChIKey is AOLBXZCWNSLYQG-USOSQLFRSA-N. The full InChI is InChI=1S/C22H16N2S/c1-2-6-22-21(5-1)18(13-14-23-22)10-7-17-8-11-19(12-9-17)24-16-20-4-3-15-25-20/h1-16H/b10-7+,24-16+.
What are the key properties of N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine?
N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine has a molecular weight of 340.45 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 53315556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).