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

C28H31FN2 — CID 50863707

IUPAC1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine
SMILESCCCN1c2cc(F)c(/C=N/c3ccc(-c4ccccc4)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C28H31FN2/c1-5-15-31-27-17-26(29)23(16-25(27)20(2)18-28(31,3)4)19-30-24-13-11-22(12-14-24)21-9-7-6-8-10-21/h6-14,16-17,19-20H,5,15,18H2,1-4H3/b30-19+
InChIKeySEUSCDMXQWRFKF-NDZAJKAJSA-N
MW414.57 g/mol
LogP7.75
Rot. Bonds5

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

1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine (PubChem CID 50863707) has the molecular formula C28H31FN2 and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine.

Molecular Properties

Compound Name1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine
PubChem CID50863707
Molecular FormulaC28H31FN2
Molecular Weight414.57 g/mol
Exact Mass414.25
IUPAC Name1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine
SMILESCCCN1c2cc(F)c(/C=N/c3ccc(-c4ccccc4)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C28H31FN2/c1-5-15-31-27-17-26(29)23(16-25(27)20(2)18-28(31,3)4)19-30-24-13-11-22(12-14-24)21-9-7-6-8-10-21/h6-14,16-17,19-20H,5,15,18H2,1-4H3/b30-19+
InChIKeySEUSCDMXQWRFKF-NDZAJKAJSA-N
XLogP7.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863534
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
CID 50863496
N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50863699
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine
CID 50863451
1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
CID 50861559
N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863596
7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 50863540
N,N-diethyl-4-[(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
CID 50861679
1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
CID 50862972
1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine
CID 50863464
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50861420
1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine
CID 50861503

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine?
The IUPAC name of 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine (CID 50863707) is 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine.
What is the SMILES notation for 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine?
The canonical SMILES for 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine is CCCN1c2cc(F)c(/C=N/c3ccc(-c4ccccc4)cc3)cc2C(C)CC1(C)C.
What is the InChIKey of 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine?
The InChIKey is SEUSCDMXQWRFKF-NDZAJKAJSA-N. The full InChI is InChI=1S/C28H31FN2/c1-5-15-31-27-17-26(29)23(16-25(27)20(2)18-28(31,3)4)19-30-24-13-11-22(12-14-24)21-9-7-6-8-10-21/h6-14,16-17,19-20H,5,15,18H2,1-4H3/b30-19+.
What are the key properties of 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine?
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine has a molecular weight of 414.57 g/mol, XLogP of 7.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine is sourced from PubChem (CID 50863707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).