ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate

C25H29N3O5 — CID 169250640

IUPACethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2cc3ccccc3nc2N2CCC(OC)CC2)[nH]c(C)c(OC)c1=O
InChIInChI=1S/C25H29N3O5/c1-5-33-25(30)20-21(26-15(2)23(32-4)22(20)29)18-14-16-8-6-7-9-19(16)27-24(18)28-12-10-17(31-3)11-13-28/h6-9,14,17H,5,10-13H2,1-4H3,(H,26,29)
InChIKeySTLAZNDIIRQOBN-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.70
Rot. Bonds6

About ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate

ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 169250640) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
PubChem CID169250640
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Nameethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2cc3ccccc3nc2N2CCC(OC)CC2)[nH]c(C)c(OC)c1=O
InChIInChI=1S/C25H29N3O5/c1-5-33-25(30)20-21(26-15(2)23(32-4)22(20)29)18-14-16-8-6-7-9-19(16)27-24(18)28-12-10-17(31-3)11-13-28/h6-9,14,17H,5,10-13H2,1-4H3,(H,26,29)
InChIKeySTLAZNDIIRQOBN-UHFFFAOYSA-N
XLogP3.70
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate (CID 169250640) is ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(-c2cc3ccccc3nc2N2CCC(OC)CC2)[nH]c(C)c(OC)c1=O.
What is the InChIKey of ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is STLAZNDIIRQOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-5-33-25(30)20-21(26-15(2)23(32-4)22(20)29)18-14-16-8-6-7-9-19(16)27-24(18)28-12-10-17(31-3)11-13-28/h6-9,14,17H,5,10-13H2,1-4H3,(H,26,29).
What are the key properties of ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?
ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate has a molecular weight of 451.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-2-[2-(4-methoxypiperidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 169250640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).