4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline

C24H24N4O — CID 134817449

IUPAC4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline
SMILESCc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1
InChIInChI=1S/C24H24N4O/c1-17-2-5-21(6-3-17)29-24-10-13-26-23-14-18(4-7-22(23)24)19-15-27-28(16-19)20-8-11-25-12-9-20/h2-7,10,13-16,20,25H,8-9,11-12H2,1H3
InChIKeyVPVLPCIBKVWFDT-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.12
Rot. Bonds4

About 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline

4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline (PubChem CID 134817449) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline
PubChem CID134817449
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline
SMILESCc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1
InChIInChI=1S/C24H24N4O/c1-17-2-5-21(6-3-17)29-24-10-13-26-23-14-18(4-7-22(23)24)19-15-27-28(16-19)20-8-11-25-12-9-20/h2-7,10,13-16,20,25H,8-9,11-12H2,1H3
InChIKeyVPVLPCIBKVWFDT-UHFFFAOYSA-N
XLogP5.12
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline?
The IUPAC name of 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline (CID 134817449) is 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline.
What is the SMILES notation for 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline?
The canonical SMILES for 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline is Cc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline?
The InChIKey is VPVLPCIBKVWFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17-2-5-21(6-3-17)29-24-10-13-26-23-14-18(4-7-22(23)24)19-15-27-28(16-19)20-8-11-25-12-9-20/h2-7,10,13-16,20,25H,8-9,11-12H2,1H3.
What are the key properties of 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline?
4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline has a molecular weight of 384.48 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline is sourced from PubChem (CID 134817449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).