6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline

C28H24FN3O — CID 71084212

IUPAC6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline
SMILESCCC1CC=C(c2ccc3nccc(-c4ccc(OC)nc4)c3c2)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C28H24FN3O/c1-3-22-10-11-24(28(32-22)18-4-8-21(29)9-5-18)19-6-12-26-25(16-19)23(14-15-30-26)20-7-13-27(33-2)31-17-20/h4-9,11-17,22H,3,10H2,1-2H3
InChIKeyUOWVKAOHDTXJCA-UHFFFAOYSA-N
MW437.52 g/mol
LogP6.50
Rot. Bonds5

About 6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline

6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline (PubChem CID 71084212) has the molecular formula C28H24FN3O and a molecular weight of 437.52 g/mol. Its IUPAC name is 6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline.

Molecular Properties

Compound Name6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline
PubChem CID71084212
Molecular FormulaC28H24FN3O
Molecular Weight437.52 g/mol
Exact Mass437.19
IUPAC Name6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline
SMILESCCC1CC=C(c2ccc3nccc(-c4ccc(OC)nc4)c3c2)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C28H24FN3O/c1-3-22-10-11-24(28(32-22)18-4-8-21(29)9-5-18)19-6-12-26-25(16-19)23(14-15-30-26)20-7-13-27(33-2)31-17-20/h4-9,11-17,22H,3,10H2,1-2H3
InChIKeyUOWVKAOHDTXJCA-UHFFFAOYSA-N
XLogP6.50
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline?
The IUPAC name of 6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline (CID 71084212) is 6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline.
What is the SMILES notation for 6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline?
The canonical SMILES for 6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline is CCC1CC=C(c2ccc3nccc(-c4ccc(OC)nc4)c3c2)C(c2ccc(F)cc2)=N1.
What is the InChIKey of 6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline?
The InChIKey is UOWVKAOHDTXJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O/c1-3-22-10-11-24(28(32-22)18-4-8-21(29)9-5-18)19-6-12-26-25(16-19)23(14-15-30-26)20-7-13-27(33-2)31-17-20/h4-9,11-17,22H,3,10H2,1-2H3.
What are the key properties of 6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline?
6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline has a molecular weight of 437.52 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethyl-6-(4-fluorophenyl)-2,3-dihydropyridin-5-yl]-4-(6-methoxy-3-pyridinyl)quinoline is sourced from PubChem (CID 71084212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).