(4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline

C27H29FN2O — CID 123323192

IUPAC(4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline
SMILESCCCC/C=C1/c2cc(-c3ccc(F)cc3)cc(OC)c2NC(c2cccnc2)C1C
InChIInChI=1S/C27H29FN2O/c1-4-5-6-9-23-18(2)26(20-8-7-14-29-17-20)30-27-24(23)15-21(16-25(27)31-3)19-10-12-22(28)13-11-19/h7-18,26,30H,4-6H2,1-3H3/b23-9+
InChIKeyODUPMBNHHDKCSS-NUGSKGIGSA-N
MW416.54 g/mol
LogP7.27
Rot. Bonds6

About (4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline

(4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline (PubChem CID 123323192) has the molecular formula C27H29FN2O and a molecular weight of 416.54 g/mol. Its IUPAC name is (4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name(4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline
PubChem CID123323192
Molecular FormulaC27H29FN2O
Molecular Weight416.54 g/mol
Exact Mass416.23
IUPAC Name(4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline
SMILESCCCC/C=C1/c2cc(-c3ccc(F)cc3)cc(OC)c2NC(c2cccnc2)C1C
InChIInChI=1S/C27H29FN2O/c1-4-5-6-9-23-18(2)26(20-8-7-14-29-17-20)30-27-24(23)15-21(16-25(27)31-3)19-10-12-22(28)13-11-19/h7-18,26,30H,4-6H2,1-3H3/b23-9+
InChIKeyODUPMBNHHDKCSS-NUGSKGIGSA-N
XLogP7.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline with MolForge

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Related Compounds

8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 44353994
7-Methoxy-1-o-tolyl-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 44366324
N-[2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethyl]-6-methoxyquinolin-4-amine
CID 44533339
3-(2,6-Difluoro-phenyl)-7-(2-ethyl-5-pyridin-3-yl-2H-pyrazol-3-yl)-3,4-dihydro-2H benzo[1,4]oxazine
CID 71548268
US10155760, Example 227
CID 118420148
US10155760, Example 133
CID 129279962
cis-4-(3-methoxyphenyl)-N-(2-(pyridin-2-yloxy)ethyl)cyclohexanamine
CID 10892762
(5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-4-ylmethylidene)-1H-chromeno[3,4-f]quinoline
CID 10949008
(5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline
CID 11047249
4-Methyl-7-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 25180102
(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-4-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 44354006

Frequently Asked Questions

What is the IUPAC name of (4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline?
The IUPAC name of (4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline (CID 123323192) is (4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for (4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline?
The canonical SMILES for (4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline is CCCC/C=C1/c2cc(-c3ccc(F)cc3)cc(OC)c2NC(c2cccnc2)C1C.
What is the InChIKey of (4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline?
The InChIKey is ODUPMBNHHDKCSS-NUGSKGIGSA-N. The full InChI is InChI=1S/C27H29FN2O/c1-4-5-6-9-23-18(2)26(20-8-7-14-29-17-20)30-27-24(23)15-21(16-25(27)31-3)19-10-12-22(28)13-11-19/h7-18,26,30H,4-6H2,1-3H3/b23-9+.
What are the key properties of (4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline?
(4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline has a molecular weight of 416.54 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-(4-fluorophenyl)-8-methoxy-3-methyl-4-pentylidene-2-pyridin-3-yl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 123323192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).