2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide

C22H19FN4O5 — CID 86937433

IUPAC2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)CC1)c1ccccc1F
InChIInChI=1S/C22H19FN4O5/c23-18-4-2-1-3-15(18)21(29)24-13-7-9-26(10-8-13)22(30)17-12-20(28)25-19-6-5-14(27(31)32)11-16(17)19/h1-6,11-13H,7-10H2,(H,24,29)(H,25,28)
InChIKeyDDTQMJIMUZOHNL-UHFFFAOYSA-N
MW438.42 g/mol
LogP2.61
Rot. Bonds4

About 2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide

2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide (PubChem CID 86937433) has the molecular formula C22H19FN4O5 and a molecular weight of 438.42 g/mol. Its IUPAC name is 2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide
PubChem CID86937433
Molecular FormulaC22H19FN4O5
Molecular Weight438.42 g/mol
Exact Mass438.13
IUPAC Name2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)CC1)c1ccccc1F
InChIInChI=1S/C22H19FN4O5/c23-18-4-2-1-3-15(18)21(29)24-13-7-9-26(10-8-13)22(30)17-12-20(28)25-19-6-5-14(27(31)32)11-16(17)19/h1-6,11-13H,7-10H2,(H,24,29)(H,25,28)
InChIKeyDDTQMJIMUZOHNL-UHFFFAOYSA-N
XLogP2.61
TPSA125.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride
CID 119492199
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
4-(1,4-diazepane-1-carbonyl)-6-nitro-1H-quinolin-2-one;hydrochloride
CID 119417546
N-[1-(2-chloro-5-nitrobenzoyl)piperidin-4-yl]-2-methylbenzamide
CID 55688878
2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide
CID 86830352
(2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371445
3-fluoro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-5-nitrobenzamide
CID 55838280
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 38208260

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide (CID 86937433) is 2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is DDTQMJIMUZOHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O5/c23-18-4-2-1-3-15(18)21(29)24-13-7-9-26(10-8-13)22(30)17-12-20(28)25-19-6-5-14(27(31)32)11-16(17)19/h1-6,11-13H,7-10H2,(H,24,29)(H,25,28).
What are the key properties of 2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide?
2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 438.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 86937433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).