6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline

C28H29N3O2 — CID 24955160

IUPAC6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline
SMILESCOc1ccc(-c2ccc3ncc(-c4ccccc4)c(OCCC4CCCCN4)c3c2)cn1
InChIInChI=1S/C28H29N3O2/c1-32-27-13-11-22(18-31-27)21-10-12-26-24(17-21)28(33-16-14-23-9-5-6-15-29-23)25(19-30-26)20-7-3-2-4-8-20/h2-4,7-8,10-13,17-19,23,29H,5-6,9,14-16H2,1H3
InChIKeyUWIHJPOATBFLPO-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.88
Rot. Bonds7

About 6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline

6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline (PubChem CID 24955160) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline
PubChem CID24955160
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline
SMILESCOc1ccc(-c2ccc3ncc(-c4ccccc4)c(OCCC4CCCCN4)c3c2)cn1
InChIInChI=1S/C28H29N3O2/c1-32-27-13-11-22(18-31-27)21-10-12-26-24(17-21)28(33-16-14-23-9-5-6-15-29-23)25(19-30-26)20-7-3-2-4-8-20/h2-4,7-8,10-13,17-19,23,29H,5-6,9,14-16H2,1H3
InChIKeyUWIHJPOATBFLPO-UHFFFAOYSA-N
XLogP5.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline (CID 24955160) is 6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline is COc1ccc(-c2ccc3ncc(-c4ccccc4)c(OCCC4CCCCN4)c3c2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline?
The InChIKey is UWIHJPOATBFLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-32-27-13-11-22(18-31-27)21-10-12-26-24(17-21)28(33-16-14-23-9-5-6-15-29-23)25(19-30-26)20-7-3-2-4-8-20/h2-4,7-8,10-13,17-19,23,29H,5-6,9,14-16H2,1H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline?
6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline has a molecular weight of 439.56 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline is sourced from PubChem (CID 24955160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).