N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C20H22ClFN2 — CID 50858519

IUPACN-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCC1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C20H22ClFN2/c1-13-11-20(2,3)24(4)19-8-5-14(9-16(13)19)12-23-15-6-7-18(22)17(21)10-15/h5-10,12-13H,11H2,1-4H3/b23-12+
InChIKeyUWMXWZZWBAWTFM-FSJBWODESA-N
MW344.86 g/mol
LogP5.95
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50858519) has the molecular formula C20H22ClFN2 and a molecular weight of 344.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50858519
Molecular FormulaC20H22ClFN2
Molecular Weight344.86 g/mol
Exact Mass344.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCC1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C20H22ClFN2/c1-13-11-20(2,3)24(4)19-8-5-14(9-16(13)19)12-23-15-6-7-18(22)17(21)10-15/h5-10,12-13H,11H2,1-4H3/b23-12+
InChIKeyUWMXWZZWBAWTFM-FSJBWODESA-N
XLogP5.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.86
LogP ≤ 55.95
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 N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50858519) is N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is CC1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(F)c(Cl)c3)cc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is UWMXWZZWBAWTFM-FSJBWODESA-N. The full InChI is InChI=1S/C20H22ClFN2/c1-13-11-20(2,3)24(4)19-8-5-14(9-16(13)19)12-23-15-6-7-18(22)17(21)10-15/h5-10,12-13H,11H2,1-4H3/b23-12+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 344.86 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50858519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).