4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide

C25H21N3O6S — CID 90269413

IUPAC4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide
SMILESCN(CC(=O)NC(=O)c1cccs1)C(=O)c1c(O)c2ccccc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C25H21N3O6S/c1-27(14-20(29)26-23(31)19-12-7-13-35-19)24(32)21-22(30)17-10-5-6-11-18(17)28(25(21)33)34-15-16-8-3-2-4-9-16/h2-13,30H,14-15H2,1H3,(H,26,29,31)
InChIKeyGITQTXZIAUPQEZ-UHFFFAOYSA-N
MW491.53 g/mol
LogP2.43
Rot. Bonds7

About 4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide

4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide (PubChem CID 90269413) has the molecular formula C25H21N3O6S and a molecular weight of 491.53 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide
PubChem CID90269413
Molecular FormulaC25H21N3O6S
Molecular Weight491.53 g/mol
Exact Mass491.12
IUPAC Name4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide
SMILESCN(CC(=O)NC(=O)c1cccs1)C(=O)c1c(O)c2ccccc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C25H21N3O6S/c1-27(14-20(29)26-23(31)19-12-7-13-35-19)24(32)21-22(30)17-10-5-6-11-18(17)28(25(21)33)34-15-16-8-3-2-4-9-16/h2-13,30H,14-15H2,1H3,(H,26,29,31)
InChIKeyGITQTXZIAUPQEZ-UHFFFAOYSA-N
XLogP2.43
TPSA117.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide (CID 90269413) is 4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide is CN(CC(=O)NC(=O)c1cccs1)C(=O)c1c(O)c2ccccc2n(OCc2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide?
The InChIKey is GITQTXZIAUPQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O6S/c1-27(14-20(29)26-23(31)19-12-7-13-35-19)24(32)21-22(30)17-10-5-6-11-18(17)28(25(21)33)34-15-16-8-3-2-4-9-16/h2-13,30H,14-15H2,1H3,(H,26,29,31).
What are the key properties of 4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide?
4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide has a molecular weight of 491.53 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-2-oxo-N-[2-oxo-2-(thiophene-2-carbonylamino)ethyl]-1-phenylmethoxyquinoline-3-carboxamide is sourced from PubChem (CID 90269413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).