4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride

C16H19ClN4O4 — CID 119492199

IUPAC4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)C1.Cl
InChIInChI=1S/C16H18N4O4.ClH/c1-17-10-3-2-6-19(9-10)16(22)13-8-15(21)18-14-5-4-11(20(23)24)7-12(13)14;/h4-5,7-8,10,17H,2-3,6,9H2,1H3,(H,18,21);1H
InChIKeyGBFZWWMHNFONCT-UHFFFAOYSA-N
MW366.81 g/mol
LogP1.68
Rot. Bonds3

About 4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride

4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride (PubChem CID 119492199) has the molecular formula C16H19ClN4O4 and a molecular weight of 366.81 g/mol. Its IUPAC name is 4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride
PubChem CID119492199
Molecular FormulaC16H19ClN4O4
Molecular Weight366.81 g/mol
Exact Mass366.11
IUPAC Name4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)C1.Cl
InChIInChI=1S/C16H18N4O4.ClH/c1-17-10-3-2-6-19(9-10)16(22)13-8-15(21)18-14-5-4-11(20(23)24)7-12(13)14;/h4-5,7-8,10,17H,2-3,6,9H2,1H3,(H,18,21);1H
InChIKeyGBFZWWMHNFONCT-UHFFFAOYSA-N
XLogP1.68
TPSA108.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 51.68
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

4-(1,4-diazepane-1-carbonyl)-6-nitro-1H-quinolin-2-one;hydrochloride
CID 119417546
[3-(methylamino)piperidin-1-yl]-(2-methyl-5-nitrophenyl)methanone
CID 62534652
(2-fluoro-4-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535777
(2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371445
2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide
CID 86937433
8-bromo-4-[3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119493998
8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124587988
[3-(methylamino)piperidin-1-yl]-(5-nitro-1-benzofuran-2-yl)methanone;hydrochloride
CID 119487885
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
(2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491320
(2-bromo-5-fluoro-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492338
2-(2-bromo-4-nitrophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489922

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride (CID 119492199) is 4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride is CNC1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)C1.Cl.
What is the InChIKey of 4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride?
The InChIKey is GBFZWWMHNFONCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4.ClH/c1-17-10-3-2-6-19(9-10)16(22)13-8-15(21)18-14-5-4-11(20(23)24)7-12(13)14;/h4-5,7-8,10,17H,2-3,6,9H2,1H3,(H,18,21);1H.
What are the key properties of 4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride?
4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride has a molecular weight of 366.81 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 119492199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).