1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol

C13H13N3O4 — CID 106673427

IUPAC1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol
SMILESO=[N+]([O-])c1cnc2ccccc2c1N1CC(O)C(O)C1
InChIInChI=1S/C13H13N3O4/c17-11-6-15(7-12(11)18)13-8-3-1-2-4-9(8)14-5-10(13)16(19)20/h1-5,11-12,17-18H,6-7H2
InChIKeyVZMUVASUFYKSGI-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.68
Rot. Bonds2

About 1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol

1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol (PubChem CID 106673427) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol
PubChem CID106673427
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol
SMILESO=[N+]([O-])c1cnc2ccccc2c1N1CC(O)C(O)C1
InChIInChI=1S/C13H13N3O4/c17-11-6-15(7-12(11)18)13-8-3-1-2-4-9(8)14-5-10(13)16(19)20/h1-5,11-12,17-18H,6-7H2
InChIKeyVZMUVASUFYKSGI-UHFFFAOYSA-N
XLogP0.68
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
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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Related Compounds

3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol
CID 114680956
1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde
CID 103964899
2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine
CID 103964815
1-(6-bromo-3-nitroquinolin-4-yl)azetidin-3-amine
CID 65249523
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
CID 106669720
1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile
CID 114653212
3-nitroquinoline-4-carboxamide
CID 19034747
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-nitroquinoline
CID 103964827
4-chloro-3-nitroquinoline;ethane
CID 90799881
3-nitro-4-(2-propylimidazol-1-yl)quinoline
CID 103964908
N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine
CID 103964018
3-nitro-N-[1-(trifluoromethyl)cyclopropyl]quinolin-4-amine
CID 106214705

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol (CID 106673427) is 1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol is O=[N+]([O-])c1cnc2ccccc2c1N1CC(O)C(O)C1.
What is the InChIKey of 1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol?
The InChIKey is VZMUVASUFYKSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-11-6-15(7-12(11)18)13-8-3-1-2-4-9(8)14-5-10(13)16(19)20/h1-5,11-12,17-18H,6-7H2.
What are the key properties of 1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol?
1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol has a molecular weight of 275.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106673427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).