8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline

C20H24N4O — CID 133388481

IUPAC8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline
SMILESCOc1cccc2c(N3CCC(Cn4cccn4)CC3)cc(C)nc12
InChIInChI=1S/C20H24N4O/c1-15-13-18(17-5-3-6-19(25-2)20(17)22-15)23-11-7-16(8-12-23)14-24-10-4-9-21-24/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3
InChIKeyAGAOPCUMWOSGDF-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.66
Rot. Bonds4

About 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline

8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline (PubChem CID 133388481) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline
PubChem CID133388481
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline
SMILESCOc1cccc2c(N3CCC(Cn4cccn4)CC3)cc(C)nc12
InChIInChI=1S/C20H24N4O/c1-15-13-18(17-5-3-6-19(25-2)20(17)22-15)23-11-7-16(8-12-23)14-24-10-4-9-21-24/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3
InChIKeyAGAOPCUMWOSGDF-UHFFFAOYSA-N
XLogP3.66
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline?
The IUPAC name of 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline (CID 133388481) is 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline.
What is the SMILES notation for 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline?
The canonical SMILES for 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline is COc1cccc2c(N3CCC(Cn4cccn4)CC3)cc(C)nc12.
What is the InChIKey of 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline?
The InChIKey is AGAOPCUMWOSGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-13-18(17-5-3-6-19(25-2)20(17)22-15)23-11-7-16(8-12-23)14-24-10-4-9-21-24/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline?
8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline has a molecular weight of 336.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline is sourced from PubChem (CID 133388481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).