1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine

C22H26F2N2 — CID 143795028

IUPAC1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine
SMILESCCCC1CNc2ccccc2C1(C)C/C(=N/C)c1cc(F)ccc1F
InChIInChI=1S/C22H26F2N2/c1-4-7-15-14-26-20-9-6-5-8-18(20)22(15,2)13-21(25-3)17-12-16(23)10-11-19(17)24/h5-6,8-12,15,26H,4,7,13-14H2,1-3H3/b25-21-
InChIKeyVWRRDIBSQMZJBC-DAFNUICNSA-N
MW356.46 g/mol
LogP5.57
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine

1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine (PubChem CID 143795028) has the molecular formula C22H26F2N2 and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine
PubChem CID143795028
Molecular FormulaC22H26F2N2
Molecular Weight356.46 g/mol
Exact Mass356.21
IUPAC Name1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine
SMILESCCCC1CNc2ccccc2C1(C)C/C(=N/C)c1cc(F)ccc1F
InChIInChI=1S/C22H26F2N2/c1-4-7-15-14-26-20-9-6-5-8-18(20)22(15,2)13-21(25-3)17-12-16(23)10-11-19(17)24/h5-6,8-12,15,26H,4,7,13-14H2,1-3H3/b25-21-
InChIKeyVWRRDIBSQMZJBC-DAFNUICNSA-N
XLogP5.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
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-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine (CID 143795028) is 1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine is CCCC1CNc2ccccc2C1(C)C/C(=N/C)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine?
The InChIKey is VWRRDIBSQMZJBC-DAFNUICNSA-N. The full InChI is InChI=1S/C22H26F2N2/c1-4-7-15-14-26-20-9-6-5-8-18(20)22(15,2)13-21(25-3)17-12-16(23)10-11-19(17)24/h5-6,8-12,15,26H,4,7,13-14H2,1-3H3/b25-21-.
What are the key properties of 1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine?
1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine has a molecular weight of 356.46 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-methyl-2-(4-methyl-3-propyl-2,3-dihydro-1H-quinolin-4-yl)ethanimine is sourced from PubChem (CID 143795028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).