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

C23H29FN2 — CID 50861559

IUPAC1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc3c(cc2F)N(CC)C(C)(C)CC3C)cc1
InChIInChI=1S/C23H29FN2/c1-6-17-8-10-19(11-9-17)25-15-18-12-20-16(3)14-23(4,5)26(7-2)22(20)13-21(18)24/h8-13,15-16H,6-7,14H2,1-5H3/b25-15+
InChIKeyBUKKWKCFBJVKQH-MFKUBSTISA-N
MW352.50 g/mol
LogP6.25
Rot. Bonds4

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

1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine (PubChem CID 50861559) has the molecular formula C23H29FN2 and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
PubChem CID50861559
Molecular FormulaC23H29FN2
Molecular Weight352.50 g/mol
Exact Mass352.23
IUPAC Name1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc3c(cc2F)N(CC)C(C)(C)CC3C)cc1
InChIInChI=1S/C23H29FN2/c1-6-17-8-10-19(11-9-17)25-15-18-12-20-16(3)14-23(4,5)26(7-2)22(20)13-21(18)24/h8-13,15-16H,6-7,14H2,1-5H3/b25-15+
InChIKeyBUKKWKCFBJVKQH-MFKUBSTISA-N
XLogP6.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 56.25
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-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine (CID 50861559) is 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine is CCc1ccc(/N=C/c2cc3c(cc2F)N(CC)C(C)(C)CC3C)cc1.
What is the InChIKey of 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine?
The InChIKey is BUKKWKCFBJVKQH-MFKUBSTISA-N. The full InChI is InChI=1S/C23H29FN2/c1-6-17-8-10-19(11-9-17)25-15-18-12-20-16(3)14-23(4,5)26(7-2)22(20)13-21(18)24/h8-13,15-16H,6-7,14H2,1-5H3/b25-15+.
What are the key properties of 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine?
1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine has a molecular weight of 352.50 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine is sourced from PubChem (CID 50861559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).