(2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate

C22H20N2O4 — CID 2645978

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate
SMILESO=C(OCC(=O)N1CCOCC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H20N2O4/c25-21(24-10-12-27-13-11-24)15-28-22(26)18-14-20(16-6-2-1-3-7-16)23-19-9-5-4-8-17(18)19/h1-9,14H,10-13,15H2
InChIKeyLJKSSFYLLDWPDR-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.92
Rot. Bonds4

About (2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate

(2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate (PubChem CID 2645978) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate
PubChem CID2645978
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate
SMILESO=C(OCC(=O)N1CCOCC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H20N2O4/c25-21(24-10-12-27-13-11-24)15-28-22(26)18-14-20(16-6-2-1-3-7-16)23-19-9-5-4-8-17(18)19/h1-9,14H,10-13,15H2
InChIKeyLJKSSFYLLDWPDR-UHFFFAOYSA-N
XLogP2.92
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate (CID 2645978) is (2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate is O=C(OCC(=O)N1CCOCC1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate?
The InChIKey is LJKSSFYLLDWPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(24-10-12-27-13-11-24)15-28-22(26)18-14-20(16-6-2-1-3-7-16)23-19-9-5-4-8-17(18)19/h1-9,14H,10-13,15H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate?
(2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 2645978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).