N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide

C26H30N4O6S — CID 10143029

IUPACN-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(COc2ccc(C(=O)NCC3(C(=O)NO)CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C26H30N4O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)16-36-21-9-7-19(8-10-21)24(31)27-17-26(25(32)29-33)11-13-30(14-12-26)37(2,34)35/h3-10,15,33H,11-14,16-17H2,1-2H3,(H,27,31)(H,29,32)
InChIKeyWIFSQEZIILGJQU-UHFFFAOYSA-N
MW526.62 g/mol
LogP2.40
Rot. Bonds8

About N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 10143029) has the molecular formula C26H30N4O6S and a molecular weight of 526.62 g/mol. Its IUPAC name is N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID10143029
Molecular FormulaC26H30N4O6S
Molecular Weight526.62 g/mol
Exact Mass526.19
IUPAC NameN-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(COc2ccc(C(=O)NCC3(C(=O)NO)CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C26H30N4O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)16-36-21-9-7-19(8-10-21)24(31)27-17-26(25(32)29-33)11-13-30(14-12-26)37(2,34)35/h3-10,15,33H,11-14,16-17H2,1-2H3,(H,27,31)(H,29,32)
InChIKeyWIFSQEZIILGJQU-UHFFFAOYSA-N
XLogP2.40
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.62
LogP ≤ 52.40
H-Bond Donors ≤ 53
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-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 10143029) is N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1cc(COc2ccc(C(=O)NCC3(C(=O)NO)CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is WIFSQEZIILGJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)16-36-21-9-7-19(8-10-21)24(31)27-17-26(25(32)29-33)11-13-30(14-12-26)37(2,34)35/h3-10,15,33H,11-14,16-17H2,1-2H3,(H,27,31)(H,29,32).
What are the key properties of N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 526.62 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10143029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).