N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C21H25FN2O — CID 50859775

IUPACN-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCOc1cc2c(cc1/C=N/c1cccc(F)c1)C(C)CC(C)(C)N2C
InChIInChI=1S/C21H25FN2O/c1-14-12-21(2,3)24(4)19-11-20(25-5)15(9-18(14)19)13-23-17-8-6-7-16(22)10-17/h6-11,13-14H,12H2,1-5H3/b23-13+
InChIKeyVJRXURWIBKJGPB-YDZHTSKRSA-N
MW340.44 g/mol
LogP5.31
Rot. Bonds3

About N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50859775) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50859775
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC NameN-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCOc1cc2c(cc1/C=N/c1cccc(F)c1)C(C)CC(C)(C)N2C
InChIInChI=1S/C21H25FN2O/c1-14-12-21(2,3)24(4)19-11-20(25-5)15(9-18(14)19)13-23-17-8-6-7-16(22)10-17/h6-11,13-14H,12H2,1-5H3/b23-13+
InChIKeyVJRXURWIBKJGPB-YDZHTSKRSA-N
XLogP5.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.44
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50859775) is N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is COc1cc2c(cc1/C=N/c1cccc(F)c1)C(C)CC(C)(C)N2C.
What is the InChIKey of N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is VJRXURWIBKJGPB-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-14-12-21(2,3)24(4)19-11-20(25-5)15(9-18(14)19)13-23-17-8-6-7-16(22)10-17/h6-11,13-14H,12H2,1-5H3/b23-13+.
What are the key properties of N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 340.44 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50859775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).