[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate

C27H24N4O6S — CID 23734279

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H24N4O6S/c32-26(29-20-5-7-21(8-6-20)38(34,35)31-13-15-36-16-14-31)18-37-27(33)23-17-25(19-9-11-28-12-10-19)30-24-4-2-1-3-22(23)24/h1-12,17H,13-16,18H2,(H,29,32)
InChIKeyLGFJQRLAZUJPRY-UHFFFAOYSA-N
MW532.58 g/mol
LogP3.11
Rot. Bonds7

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate (PubChem CID 23734279) has the molecular formula C27H24N4O6S and a molecular weight of 532.58 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
PubChem CID23734279
Molecular FormulaC27H24N4O6S
Molecular Weight532.58 g/mol
Exact Mass532.14
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H24N4O6S/c32-26(29-20-5-7-21(8-6-20)38(34,35)31-13-15-36-16-14-31)18-37-27(33)23-17-25(19-9-11-28-12-10-19)30-24-4-2-1-3-22(23)24/h1-12,17H,13-16,18H2,(H,29,32)
InChIKeyLGFJQRLAZUJPRY-UHFFFAOYSA-N
XLogP3.11
TPSA127.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.58
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate with MolForge

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Related Compounds

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 4663146
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23905521
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 2358673
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 3264939
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528751
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 2463363
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2121133
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 3970101
[(2R)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 98393913
[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23990884
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate (CID 23734279) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The InChIKey is LGFJQRLAZUJPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O6S/c32-26(29-20-5-7-21(8-6-20)38(34,35)31-13-15-36-16-14-31)18-37-27(33)23-17-25(19-9-11-28-12-10-19)30-24-4-2-1-3-22(23)24/h1-12,17H,13-16,18H2,(H,29,32).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate has a molecular weight of 532.58 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate is sourced from PubChem (CID 23734279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).