N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine

C23H28F2N2O — CID 50863685

IUPACN-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCCN1c2cc(OC)c(/C=N/c3ccc(F)cc3F)cc2C(C)CC1(C)C
InChIInChI=1S/C23H28F2N2O/c1-6-9-27-21-12-22(28-5)16(10-18(21)15(2)13-23(27,3)4)14-26-20-8-7-17(24)11-19(20)25/h7-8,10-12,14-15H,6,9,13H2,1-5H3/b26-14+
InChIKeyQWPAMJLHXJEVSD-VULFUBBASA-N
MW386.49 g/mol
LogP6.23
Rot. Bonds5

About N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine

N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50863685) has the molecular formula C23H28F2N2O and a molecular weight of 386.49 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50863685
Molecular FormulaC23H28F2N2O
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCCN1c2cc(OC)c(/C=N/c3ccc(F)cc3F)cc2C(C)CC1(C)C
InChIInChI=1S/C23H28F2N2O/c1-6-9-27-21-12-22(28-5)16(10-18(21)15(2)13-23(27,3)4)14-26-20-8-7-17(24)11-19(20)25/h7-8,10-12,14-15H,6,9,13H2,1-5H3/b26-14+
InChIKeyQWPAMJLHXJEVSD-VULFUBBASA-N
XLogP6.23
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50863685) is N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine is CCCN1c2cc(OC)c(/C=N/c3ccc(F)cc3F)cc2C(C)CC1(C)C.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is QWPAMJLHXJEVSD-VULFUBBASA-N. The full InChI is InChI=1S/C23H28F2N2O/c1-6-9-27-21-12-22(28-5)16(10-18(21)15(2)13-23(27,3)4)14-26-20-8-7-17(24)11-19(20)25/h7-8,10-12,14-15H,6,9,13H2,1-5H3/b26-14+.
What are the key properties of N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 386.49 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50863685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).