N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide

C17H19N3O5 — CID 95619761

IUPACN-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide
SMILESCCN(C[C@H]1CCOC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H19N3O5/c1-2-19(9-11-5-6-25-10-11)17(22)14-8-16(21)18-15-4-3-12(20(23)24)7-13(14)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyLDYFJPBDESMXBY-LLVKDONJSA-N
MW345.36 g/mol
LogP1.93
Rot. Bonds5

About N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide

N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide (PubChem CID 95619761) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide
PubChem CID95619761
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide
SMILESCCN(C[C@H]1CCOC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H19N3O5/c1-2-19(9-11-5-6-25-10-11)17(22)14-8-16(21)18-15-4-3-12(20(23)24)7-13(14)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyLDYFJPBDESMXBY-LLVKDONJSA-N
XLogP1.93
TPSA105.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
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-(dimethylamino)-N-ethyl-5-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94806475
3-[2-methylpropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119190683
2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119203411
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
N-ethyl-4,5-dimethoxy-2-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94799727
2-chloro-N-ethyl-3-nitro-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 64868737
N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide
CID 94836383
N-ethyl-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1,3-dihydroimidazole-4-carboxamide
CID 95275267
N-ethyl-4-(methylamino)-3-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94797422
6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide
CID 121499260
2-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547522
5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
CID 61116521

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide?
The IUPAC name of N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide (CID 95619761) is N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide is CCN(C[C@H]1CCOC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide?
The InChIKey is LDYFJPBDESMXBY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-2-19(9-11-5-6-25-10-11)17(22)14-8-16(21)18-15-4-3-12(20(23)24)7-13(14)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,21)/t11-/m1/s1.
What are the key properties of N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide?
N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 95619761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).