(4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline

C30H32FN3O — CID 123337710

IUPAC(4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline
SMILESC=CC1NCCCC1/C=C1\CC(c2cccnc2)Nc2c(OC)cc(-c3cccc(C)c3F)cc21
InChIInChI=1S/C30H32FN3O/c1-4-26-20(9-7-13-33-26)14-22-16-27(21-10-6-12-32-18-21)34-30-25(22)15-23(17-28(30)35-3)24-11-5-8-19(2)29(24)31/h4-6,8,10-12,14-15,17-18,20,26-27,33-34H,1,7,9,13,16H2,2-3H3/b22-14+
InChIKeyOOOASJPWOBYDJV-HYARGMPZSA-N
MW469.60 g/mol
LogP6.70
Rot. Bonds5

About (4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline

(4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline (PubChem CID 123337710) has the molecular formula C30H32FN3O and a molecular weight of 469.60 g/mol. Its IUPAC name is (4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name(4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline
PubChem CID123337710
Molecular FormulaC30H32FN3O
Molecular Weight469.60 g/mol
Exact Mass469.25
IUPAC Name(4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline
SMILESC=CC1NCCCC1/C=C1\CC(c2cccnc2)Nc2c(OC)cc(-c3cccc(C)c3F)cc21
InChIInChI=1S/C30H32FN3O/c1-4-26-20(9-7-13-33-26)14-22-16-27(21-10-6-12-32-18-21)34-30-25(22)15-23(17-28(30)35-3)24-11-5-8-19(2)29(24)31/h4-6,8,10-12,14-15,17-18,20,26-27,33-34H,1,7,9,13,16H2,2-3H3/b22-14+
InChIKeyOOOASJPWOBYDJV-HYARGMPZSA-N
XLogP6.70
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.60
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline with MolForge

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Related Compounds

N,N'-bis(8-methoxyquinolin-4-yl)heptane-1,7-diamine
CID 118717462
6-(3-Methoxyphenyl)-n-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine
CID 11654763
US11845730, Example 4
CID 165143781
Viqualine
CID 3050111
8-methoxy-4-methyl-6-pyridin-4-yl-1H-quinolin-2-one
CID 13734458
N-(2-methoxyphenyl)-6-(trifluoromethyl)quinolin-4-amine
CID 52092879
2-Methoxy-N,N-dimethyl-4-(2-(4-quinolinyl)vinyl)aniline
CID 6078606
1-(2-Methoxyphenyl)-4-[2-(4-fluorobenzyl)-2-(4-pyridyl)ethyl]piperazine
CID 15016120
Ivoqualine
CID 3038482
8-methoxy-4-methyl-6-pyridin-3-yl-1H-quinolin-2-one
CID 13728859
(3aS,4R,9bR)-6-ethoxy-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 168296632
1-[3-(3,5-Difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine
CID 171352990

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline?
The IUPAC name of (4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline (CID 123337710) is (4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for (4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline?
The canonical SMILES for (4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline is C=CC1NCCCC1/C=C1\CC(c2cccnc2)Nc2c(OC)cc(-c3cccc(C)c3F)cc21.
What is the InChIKey of (4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline?
The InChIKey is OOOASJPWOBYDJV-HYARGMPZSA-N. The full InChI is InChI=1S/C30H32FN3O/c1-4-26-20(9-7-13-33-26)14-22-16-27(21-10-6-12-32-18-21)34-30-25(22)15-23(17-28(30)35-3)24-11-5-8-19(2)29(24)31/h4-6,8,10-12,14-15,17-18,20,26-27,33-34H,1,7,9,13,16H2,2-3H3/b22-14+.
What are the key properties of (4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline?
(4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline has a molecular weight of 469.60 g/mol, XLogP of 6.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2-ethenylpiperidin-3-yl)methylidene]-6-(2-fluoro-3-methylphenyl)-8-methoxy-2-pyridin-3-yl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 123337710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).