3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide

C16H18N4O3 — CID 88883035

IUPAC3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide
SMILESO=C(NO)c1cnc2cc(C(=O)NC3CCNCC3)ccc2c1
InChIInChI=1S/C16H18N4O3/c21-15(19-13-3-5-17-6-4-13)11-2-1-10-7-12(16(22)20-23)9-18-14(10)8-11/h1-2,7-9,13,17,23H,3-6H2,(H,19,21)(H,20,22)
InChIKeyUSASXRIAWLPWOV-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.84
Rot. Bonds3

About 3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide

3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide (PubChem CID 88883035) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide.

Molecular Properties

Compound Name3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide
PubChem CID88883035
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide
SMILESO=C(NO)c1cnc2cc(C(=O)NC3CCNCC3)ccc2c1
InChIInChI=1S/C16H18N4O3/c21-15(19-13-3-5-17-6-4-13)11-2-1-10-7-12(16(22)20-23)9-18-14(10)8-11/h1-2,7-9,13,17,23H,3-6H2,(H,19,21)(H,20,22)
InChIKeyUSASXRIAWLPWOV-UHFFFAOYSA-N
XLogP0.84
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.84
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'}

Analyze 3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 18348775
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
N-pyrrolidin-3-ylisoquinoline-7-carboxamide
CID 18337236
N-cyclohexyl-6-hydroxyquinoline-3-carboxamide
CID 69292752
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506033
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743

Frequently Asked Questions

What is the IUPAC name of 3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide?
The IUPAC name of 3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide (CID 88883035) is 3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide.
What is the SMILES notation for 3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide?
The canonical SMILES for 3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide is O=C(NO)c1cnc2cc(C(=O)NC3CCNCC3)ccc2c1.
What is the InChIKey of 3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide?
The InChIKey is USASXRIAWLPWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15(19-13-3-5-17-6-4-13)11-2-1-10-7-12(16(22)20-23)9-18-14(10)8-11/h1-2,7-9,13,17,23H,3-6H2,(H,19,21)(H,20,22).
What are the key properties of 3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide?
3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide is sourced from PubChem (CID 88883035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).