1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine

C19H17BrN2 — CID 147373459

IUPAC1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cccc1C)c1ccc2cccc(Br)c2n1
InChIInChI=1S/C19H17BrN2/c1-12-6-4-7-13(2)18(12)21-14(3)17-11-10-15-8-5-9-16(20)19(15)22-17/h4-11H,1-3H3/b21-14+
InChIKeyDJOBCHKHUAOIRZ-KGENOOAVSA-N
MW353.26 g/mol
LogP5.75
Rot. Bonds2

About 1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine

1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine (PubChem CID 147373459) has the molecular formula C19H17BrN2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine.

Molecular Properties

Compound Name1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine
PubChem CID147373459
Molecular FormulaC19H17BrN2
Molecular Weight353.26 g/mol
Exact Mass352.06
IUPAC Name1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cccc1C)c1ccc2cccc(Br)c2n1
InChIInChI=1S/C19H17BrN2/c1-12-6-4-7-13(2)18(12)21-14(3)17-11-10-15-8-5-9-16(20)19(15)22-17/h4-11H,1-3H3/b21-14+
InChIKeyDJOBCHKHUAOIRZ-KGENOOAVSA-N
XLogP5.75
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.26
LogP ≤ 55.75
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-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine?
The IUPAC name of 1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine (CID 147373459) is 1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine.
What is the SMILES notation for 1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine?
The canonical SMILES for 1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine is C/C(=N\c1c(C)cccc1C)c1ccc2cccc(Br)c2n1.
What is the InChIKey of 1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine?
The InChIKey is DJOBCHKHUAOIRZ-KGENOOAVSA-N. The full InChI is InChI=1S/C19H17BrN2/c1-12-6-4-7-13(2)18(12)21-14(3)17-11-10-15-8-5-9-16(20)19(15)22-17/h4-11H,1-3H3/b21-14+.
What are the key properties of 1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine?
1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine has a molecular weight of 353.26 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromoquinolin-2-yl)-N-(2,6-dimethylphenyl)ethanimine is sourced from PubChem (CID 147373459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).