N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide

C18H22N4O3 — CID 88883098

IUPACN-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide
SMILESCc1nc2ccc(NC(=O)C3(C)CCNCC3)cc2cc1C(=O)NO
InChIInChI=1S/C18H22N4O3/c1-11-14(16(23)22-25)10-12-9-13(3-4-15(12)20-11)21-17(24)18(2)5-7-19-8-6-18/h3-4,9-10,19,25H,5-8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNYNPHKUIFNESBQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.99
Rot. Bonds3

About N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide

N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide (PubChem CID 88883098) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide
PubChem CID88883098
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide
SMILESCc1nc2ccc(NC(=O)C3(C)CCNCC3)cc2cc1C(=O)NO
InChIInChI=1S/C18H22N4O3/c1-11-14(16(23)22-25)10-12-9-13(3-4-15(12)20-11)21-17(24)18(2)5-7-19-8-6-18/h3-4,9-10,19,25H,5-8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNYNPHKUIFNESBQ-UHFFFAOYSA-N
XLogP1.99
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide?
The IUPAC name of N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide (CID 88883098) is N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide?
The canonical SMILES for N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide is Cc1nc2ccc(NC(=O)C3(C)CCNCC3)cc2cc1C(=O)NO.
What is the InChIKey of N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide?
The InChIKey is NYNPHKUIFNESBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-14(16(23)22-25)10-12-9-13(3-4-15(12)20-11)21-17(24)18(2)5-7-19-8-6-18/h3-4,9-10,19,25H,5-8H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide?
N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide is sourced from PubChem (CID 88883098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).