1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine

C21H24ClFN2 — CID 50861005

IUPAC1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine
SMILESCCN1c2cc(Cl)c(/C=N/c3cccc(F)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C21H24ClFN2/c1-5-25-20-11-19(22)15(9-18(20)14(2)12-21(25,3)4)13-24-17-8-6-7-16(23)10-17/h6-11,13-14H,5,12H2,1-4H3/b24-13+
InChIKeyRMRUIGJAVVIZTK-ZMOGYAJESA-N
MW358.89 g/mol
LogP6.34
Rot. Bonds3

About 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine

1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine (PubChem CID 50861005) has the molecular formula C21H24ClFN2 and a molecular weight of 358.89 g/mol. Its IUPAC name is 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine
PubChem CID50861005
Molecular FormulaC21H24ClFN2
Molecular Weight358.89 g/mol
Exact Mass358.16
IUPAC Name1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine
SMILESCCN1c2cc(Cl)c(/C=N/c3cccc(F)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C21H24ClFN2/c1-5-25-20-11-19(22)15(9-18(20)14(2)12-21(25,3)4)13-24-17-8-6-7-16(23)10-17/h6-11,13-14H,5,12H2,1-4H3/b24-13+
InChIKeyRMRUIGJAVVIZTK-ZMOGYAJESA-N
XLogP6.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.89
LogP ≤ 56.34
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-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine?
The IUPAC name of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine (CID 50861005) is 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine?
The canonical SMILES for 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine is CCN1c2cc(Cl)c(/C=N/c3cccc(F)c3)cc2C(C)CC1(C)C.
What is the InChIKey of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine?
The InChIKey is RMRUIGJAVVIZTK-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H24ClFN2/c1-5-25-20-11-19(22)15(9-18(20)14(2)12-21(25,3)4)13-24-17-8-6-7-16(23)10-17/h6-11,13-14H,5,12H2,1-4H3/b24-13+.
What are the key properties of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine?
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine has a molecular weight of 358.89 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine is sourced from PubChem (CID 50861005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).