(2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

C23H22N2O5 — CID 2358377

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H22N2O5/c1-28-17-8-6-16(7-9-17)21-14-19(18-4-2-3-5-20(18)24-21)23(27)30-15-22(26)25-10-12-29-13-11-25/h2-9,14H,10-13,15H2,1H3
InChIKeyQAVGGANFTYKFHM-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.93
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

(2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 2358377) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID2358377
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H22N2O5/c1-28-17-8-6-16(7-9-17)21-14-19(18-4-2-3-5-20(18)24-21)23(27)30-15-22(26)25-10-12-29-13-11-25/h2-9,14H,10-13,15H2,1H3
InChIKeyQAVGGANFTYKFHM-UHFFFAOYSA-N
XLogP2.93
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 2358377) is (2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OCC(=O)N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is QAVGGANFTYKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-28-17-8-6-16(7-9-17)21-14-19(18-4-2-3-5-20(18)24-21)23(27)30-15-22(26)25-10-12-29-13-11-25/h2-9,14H,10-13,15H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
(2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 406.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2358377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).