(4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate

C20H26N2O4 — CID 70839227

IUPAC(4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate
SMILESCCCCOc1c(C)c(COC(=O)N2CCOCC2)nc2ccccc12
InChIInChI=1S/C20H26N2O4/c1-3-4-11-25-19-15(2)18(21-17-8-6-5-7-16(17)19)14-26-20(23)22-9-12-24-13-10-22/h5-8H,3-4,9-14H2,1-2H3
InChIKeyJSQZYLBICSROFX-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.69
Rot. Bonds6

About (4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate

(4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate (PubChem CID 70839227) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate.

Molecular Properties

Compound Name(4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate
PubChem CID70839227
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate
SMILESCCCCOc1c(C)c(COC(=O)N2CCOCC2)nc2ccccc12
InChIInChI=1S/C20H26N2O4/c1-3-4-11-25-19-15(2)18(21-17-8-6-5-7-16(17)19)14-26-20(23)22-9-12-24-13-10-22/h5-8H,3-4,9-14H2,1-2H3
InChIKeyJSQZYLBICSROFX-UHFFFAOYSA-N
XLogP3.69
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate?
The IUPAC name of (4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate (CID 70839227) is (4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate.
What is the SMILES notation for (4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate?
The canonical SMILES for (4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate is CCCCOc1c(C)c(COC(=O)N2CCOCC2)nc2ccccc12.
What is the InChIKey of (4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate?
The InChIKey is JSQZYLBICSROFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-4-11-25-19-15(2)18(21-17-8-6-5-7-16(17)19)14-26-20(23)22-9-12-24-13-10-22/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of (4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate?
(4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate is sourced from PubChem (CID 70839227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).