N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide

C22H18N4O5S — CID 10321516

IUPACN-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide
SMILESCN(c1c(C(=O)NO)cnc2ccccc12)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C22H18N4O5S/c1-26(21-18-4-2-3-5-20(18)24-14-19(21)22(27)25-28)32(29,30)17-8-6-15(7-9-17)31-16-10-12-23-13-11-16/h2-14,28H,1H3,(H,25,27)
InChIKeyRAOAFDPXSFVLJD-UHFFFAOYSA-N
MW450.48 g/mol
LogP3.37
Rot. Bonds6

About N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide

N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide (PubChem CID 10321516) has the molecular formula C22H18N4O5S and a molecular weight of 450.48 g/mol. Its IUPAC name is N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide
PubChem CID10321516
Molecular FormulaC22H18N4O5S
Molecular Weight450.48 g/mol
Exact Mass450.10
IUPAC NameN-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide
SMILESCN(c1c(C(=O)NO)cnc2ccccc12)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C22H18N4O5S/c1-26(21-18-4-2-3-5-20(18)24-14-19(21)22(27)25-28)32(29,30)17-8-6-15(7-9-17)31-16-10-12-23-13-11-16/h2-14,28H,1H3,(H,25,27)
InChIKeyRAOAFDPXSFVLJD-UHFFFAOYSA-N
XLogP3.37
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide?
The IUPAC name of N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide (CID 10321516) is N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide.
What is the SMILES notation for N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide?
The canonical SMILES for N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide is CN(c1c(C(=O)NO)cnc2ccccc12)S(=O)(=O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide?
The InChIKey is RAOAFDPXSFVLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5S/c1-26(21-18-4-2-3-5-20(18)24-14-19(21)22(27)25-28)32(29,30)17-8-6-15(7-9-17)31-16-10-12-23-13-11-16/h2-14,28H,1H3,(H,25,27).
What are the key properties of N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide?
N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxamide is sourced from PubChem (CID 10321516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).