6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine

C26H24FN3O — CID 123568828

IUPAC6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine
SMILESC=Cc1cc(F)cc(-c2cc(OC)c3c(c2)C(N(C)C)C(=C)C(c2cccnc2)=N3)c1
InChIInChI=1S/C26H24FN3O/c1-6-17-10-19(12-21(27)11-17)20-13-22-25(23(14-20)31-5)29-24(16(2)26(22)30(3)4)18-8-7-9-28-15-18/h6-15,26H,1-2H2,3-5H3
InChIKeyZUXLILUNDLJEPM-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.83
Rot. Bonds5

About 6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine

6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine (PubChem CID 123568828) has the molecular formula C26H24FN3O and a molecular weight of 413.50 g/mol. Its IUPAC name is 6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine.

Molecular Properties

Compound Name6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine
PubChem CID123568828
Molecular FormulaC26H24FN3O
Molecular Weight413.50 g/mol
Exact Mass413.19
IUPAC Name6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine
SMILESC=Cc1cc(F)cc(-c2cc(OC)c3c(c2)C(N(C)C)C(=C)C(c2cccnc2)=N3)c1
InChIInChI=1S/C26H24FN3O/c1-6-17-10-19(12-21(27)11-17)20-13-22-25(23(14-20)31-5)29-24(16(2)26(22)30(3)4)18-8-7-9-28-15-18/h6-15,26H,1-2H2,3-5H3
InChIKeyZUXLILUNDLJEPM-UHFFFAOYSA-N
XLogP5.83
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine with MolForge

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Related Compounds

8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
8-[(2-Fluorobenzyl)oxy]quinoline
CID 6460708
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinolin-6-yl-ethyl)-amine
CID 10713569
3-(3-Methoxybenzylidene)anabaseine
CID 11637689
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
7-Methoxy-1-o-tolyl-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 44366324
1-(2-methoxyphenyl)-4-((1-o-tolyl-1H-pyrrol-3-yl)methyl)piperazine
CID 44388858
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline
CID 117988898
8-[(4-Fluorobenzyl)oxy]quinoline
CID 2953616
4-Methyl-7-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 25180102

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine?
The IUPAC name of 6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine (CID 123568828) is 6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine.
What is the SMILES notation for 6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine?
The canonical SMILES for 6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine is C=Cc1cc(F)cc(-c2cc(OC)c3c(c2)C(N(C)C)C(=C)C(c2cccnc2)=N3)c1.
What is the InChIKey of 6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine?
The InChIKey is ZUXLILUNDLJEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O/c1-6-17-10-19(12-21(27)11-17)20-13-22-25(23(14-20)31-5)29-24(16(2)26(22)30(3)4)18-8-7-9-28-15-18/h6-15,26H,1-2H2,3-5H3.
What are the key properties of 6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine?
6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine has a molecular weight of 413.50 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethenyl-5-fluorophenyl)-8-methoxy-N,N-dimethyl-3-methylidene-2-pyridin-3-yl-4H-quinolin-4-amine is sourced from PubChem (CID 123568828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).