4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid

C16H15N3O6 — CID 120528257

IUPAC4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H15N3O6/c20-14(18-8-5-16(23,6-9-18)15(21)22)11-3-4-12(19(24)25)10-2-1-7-17-13(10)11/h1-4,7,23H,5-6,8-9H2,(H,21,22)
InChIKeyMOXKBXTXAXLIED-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.19
Rot. Bonds3

About 4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid

4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid (PubChem CID 120528257) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid
PubChem CID120528257
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H15N3O6/c20-14(18-8-5-16(23,6-9-18)15(21)22)11-3-4-12(19(24)25)10-2-1-7-17-13(10)11/h1-4,7,23H,5-6,8-9H2,(H,21,22)
InChIKeyMOXKBXTXAXLIED-UHFFFAOYSA-N
XLogP1.19
TPSA133.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid 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

5-nitroquinoline-8-carboxylic acid
CID 15405331
1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528096
morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone
CID 17174929
4-hydroxy-1-(2-methyl-4-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119252038
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride
CID 51353266
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 2866417
aniline;5-nitroquinolin-8-ol
CID 90427564
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
(5-nitroquinolin-8-yl) morpholine-4-carboxylate
CID 175460735
5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 46238560

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid (CID 120528257) is 4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid is O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is MOXKBXTXAXLIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c20-14(18-8-5-16(23,6-9-18)15(21)22)11-3-4-12(19(24)25)10-2-1-7-17-13(10)11/h1-4,7,23H,5-6,8-9H2,(H,21,22).
What are the key properties of 4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 345.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 120528257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).