1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine

C24H17ClN2 — CID 155540912

IUPAC1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine
SMILESClc1ccc2ccc(/C=C/c3cccc(/C=N/c4ccccc4)c3)nc2c1
InChIInChI=1S/C24H17ClN2/c25-21-12-10-20-11-14-23(27-24(20)16-21)13-9-18-5-4-6-19(15-18)17-26-22-7-2-1-3-8-22/h1-17H/b13-9+,26-17+
InChIKeyIKCQUWUKNRWRRH-WSPOYTSVSA-N
MW368.87 g/mol
LogP6.81
Rot. Bonds4

About 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine

1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine (PubChem CID 155540912) has the molecular formula C24H17ClN2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine
PubChem CID155540912
Molecular FormulaC24H17ClN2
Molecular Weight368.87 g/mol
Exact Mass368.11
IUPAC Name1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine
SMILESClc1ccc2ccc(/C=C/c3cccc(/C=N/c4ccccc4)c3)nc2c1
InChIInChI=1S/C24H17ClN2/c25-21-12-10-20-11-14-23(27-24(20)16-21)13-9-18-5-4-6-19(15-18)17-26-22-7-2-1-3-8-22/h1-17H/b13-9+,26-17+
InChIKeyIKCQUWUKNRWRRH-WSPOYTSVSA-N
XLogP6.81
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine (CID 155540912) is 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine is Clc1ccc2ccc(/C=C/c3cccc(/C=N/c4ccccc4)c3)nc2c1.
What is the InChIKey of 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine?
The InChIKey is IKCQUWUKNRWRRH-WSPOYTSVSA-N. The full InChI is InChI=1S/C24H17ClN2/c25-21-12-10-20-11-14-23(27-24(20)16-21)13-9-18-5-4-6-19(15-18)17-26-22-7-2-1-3-8-22/h1-17H/b13-9+,26-17+.
What are the key properties of 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine?
1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine has a molecular weight of 368.87 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-phenylmethanimine is sourced from PubChem (CID 155540912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).