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

C28H26N4O7S — CID 23905521

IUPAC[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C28H26N4O7S/c1-37-26-16-20(40(35,36)32-12-14-38-15-13-32)6-7-24(26)31-27(33)18-39-28(34)22-17-25(19-8-10-29-11-9-19)30-23-5-3-2-4-21(22)23/h2-11,16-17H,12-15,18H2,1H3,(H,31,33)
InChIKeyNRBCUCYDNWOJTR-UHFFFAOYSA-N
MW562.60 g/mol
LogP3.12
Rot. Bonds8

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

[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate (PubChem CID 23905521) has the molecular formula C28H26N4O7S and a molecular weight of 562.60 g/mol. Its IUPAC name is [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
PubChem CID23905521
Molecular FormulaC28H26N4O7S
Molecular Weight562.60 g/mol
Exact Mass562.15
IUPAC Name[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C28H26N4O7S/c1-37-26-16-20(40(35,36)32-12-14-38-15-13-32)6-7-24(26)31-27(33)18-39-28(34)22-17-25(19-8-10-29-11-9-19)30-23-5-3-2-4-21(22)23/h2-11,16-17H,12-15,18H2,1H3,(H,31,33)
InChIKeyNRBCUCYDNWOJTR-UHFFFAOYSA-N
XLogP3.12
TPSA137.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.60
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23734279
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 4663146
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528751
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 23933211
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 2463363
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2357921
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4638958
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 3264939
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2480101
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 2358673
[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23990884
[(2R)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 98393913

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The IUPAC name of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate (CID 23905521) is [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The canonical SMILES for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate is COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The InChIKey is NRBCUCYDNWOJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O7S/c1-37-26-16-20(40(35,36)32-12-14-38-15-13-32)6-7-24(26)31-27(33)18-39-28(34)22-17-25(19-8-10-29-11-9-19)30-23-5-3-2-4-21(22)23/h2-11,16-17H,12-15,18H2,1H3,(H,31,33).
What are the key properties of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate has a molecular weight of 562.60 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate is sourced from PubChem (CID 23905521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).