3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one

C14H14N4O3 — CID 62091958

IUPAC3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C14H14N4O3/c19-14-11(4-2-8-16-14)17-10-5-6-12(18(20)21)13-9(10)3-1-7-15-13/h1,3,5-7,11,17H,2,4,8H2,(H,16,19)
InChIKeyBUJNAFPJZSFLMT-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.83
Rot. Bonds3

About 3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one

3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one (PubChem CID 62091958) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one
PubChem CID62091958
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C14H14N4O3/c19-14-11(4-2-8-16-14)17-10-5-6-12(18(20)21)13-9(10)3-1-7-15-13/h1,3,5-7,11,17H,2,4,8H2,(H,16,19)
InChIKeyBUJNAFPJZSFLMT-UHFFFAOYSA-N
XLogP1.83
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.83
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

N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one
CID 62060382
2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol
CID 62359986
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine
CID 43599066
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 62094517
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one
CID 62092176
3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzaldehyde
CID 83105604
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one
CID 83165156

Frequently Asked Questions

What is the IUPAC name of 3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one (CID 62091958) is 3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one is O=C1NCCCC1Nc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of 3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one?
The InChIKey is BUJNAFPJZSFLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-14-11(4-2-8-16-14)17-10-5-6-12(18(20)21)13-9(10)3-1-7-15-13/h1,3,5-7,11,17H,2,4,8H2,(H,16,19).
What are the key properties of 3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one?
3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one has a molecular weight of 286.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 62091958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).