4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one

C16H19N3O4 — CID 7724159

IUPAC4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one
SMILESC[C@@H]1CN(c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C16H19N3O4/c1-10-8-18(9-11(2)23-10)14-12-6-4-5-7-13(12)17(3)16(20)15(14)19(21)22/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyLFPRDNLQZKKGOD-GHMZBOCLSA-N
MW317.35 g/mol
LogP2.06
Rot. Bonds2

About 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one (PubChem CID 7724159) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one.

Molecular Properties

Compound Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one
PubChem CID7724159
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one
SMILESC[C@@H]1CN(c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C16H19N3O4/c1-10-8-18(9-11(2)23-10)14-12-6-4-5-7-13(12)17(3)16(20)15(14)19(21)22/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyLFPRDNLQZKKGOD-GHMZBOCLSA-N
XLogP2.06
TPSA77.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one?
The IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one (CID 7724159) is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one.
What is the SMILES notation for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one?
The canonical SMILES for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one is C[C@@H]1CN(c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)C[C@@H](C)O1.
What is the InChIKey of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one?
The InChIKey is LFPRDNLQZKKGOD-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-8-18(9-11(2)23-10)14-12-6-4-5-7-13(12)17(3)16(20)15(14)19(21)22/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one?
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one has a molecular weight of 317.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one is sourced from PubChem (CID 7724159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).