1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine

C25H19ClN2 — CID 155532502

IUPAC1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)cc1
InChIInChI=1S/C25H19ClN2/c1-18-5-11-23(12-6-18)27-17-20-4-2-3-19(15-20)7-13-24-14-9-21-8-10-22(26)16-25(21)28-24/h2-17H,1H3/b13-7+,27-17+
InChIKeyNKNHOYHSYMQKSZ-FEUJWCKSSA-N
MW382.89 g/mol
LogP7.12
Rot. Bonds4

About 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine

1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine (PubChem CID 155532502) has the molecular formula C25H19ClN2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine
PubChem CID155532502
Molecular FormulaC25H19ClN2
Molecular Weight382.89 g/mol
Exact Mass382.12
IUPAC Name1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)cc1
InChIInChI=1S/C25H19ClN2/c1-18-5-11-23(12-6-18)27-17-20-4-2-3-19(15-20)7-13-24-14-9-21-8-10-22(26)16-25(21)28-24/h2-17H,1H3/b13-7+,27-17+
InChIKeyNKNHOYHSYMQKSZ-FEUJWCKSSA-N
XLogP7.12
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 57.12
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-(4-methylphenyl)methanimine?
The IUPAC name of 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine (CID 155532502) is 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine is Cc1ccc(/N=C/c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)cc1.
What is the InChIKey of 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine?
The InChIKey is NKNHOYHSYMQKSZ-FEUJWCKSSA-N. The full InChI is InChI=1S/C25H19ClN2/c1-18-5-11-23(12-6-18)27-17-20-4-2-3-19(15-20)7-13-24-14-9-21-8-10-22(26)16-25(21)28-24/h2-17H,1H3/b13-7+,27-17+.
What are the key properties of 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine?
1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-N-(4-methylphenyl)methanimine has a molecular weight of 382.89 g/mol, XLogP of 7.12, 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-(4-methylphenyl)methanimine is sourced from PubChem (CID 155532502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).