6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline

C18H16N4O3 — CID 71919769

IUPAC6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline
SMILESO=[N+]([O-])c1ccc2nc(N3CCC(Oc4ccncc4)C3)ccc2c1
InChIInChI=1S/C18H16N4O3/c23-22(24)14-2-3-17-13(11-14)1-4-18(20-17)21-10-7-16(12-21)25-15-5-8-19-9-6-15/h1-6,8-9,11,16H,7,10,12H2
InChIKeyRYDKVYXZJGUQCA-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.20
Rot. Bonds4

About 6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline

6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline (PubChem CID 71919769) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline.

Molecular Properties

Compound Name6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline
PubChem CID71919769
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline
SMILESO=[N+]([O-])c1ccc2nc(N3CCC(Oc4ccncc4)C3)ccc2c1
InChIInChI=1S/C18H16N4O3/c23-22(24)14-2-3-17-13(11-14)1-4-18(20-17)21-10-7-16(12-21)25-15-5-8-19-9-6-15/h1-6,8-9,11,16H,7,10,12H2
InChIKeyRYDKVYXZJGUQCA-UHFFFAOYSA-N
XLogP3.20
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.20
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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Related Compounds

N-methyl-1-(6-nitroquinolin-2-yl)pyrrolidin-3-amine
CID 115300813
6-nitro-2-[(3S)-3-phenylpyrrolidin-1-yl]quinoline
CID 129320590
(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
CID 107225336
2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315162
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923
1-(6-nitroquinolin-2-yl)azetidin-3-ol
CID 63282678
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
CID 62545842
methyl-[(3R)-1-(6-nitroquinolin-2-yl)pyrrolidin-3-yl]carbamic acid
CID 69058174
3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 133420016
2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline
CID 133357796
1-(6-nitroquinolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331698

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline?
The IUPAC name of 6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline (CID 71919769) is 6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline.
What is the SMILES notation for 6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline?
The canonical SMILES for 6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline is O=[N+]([O-])c1ccc2nc(N3CCC(Oc4ccncc4)C3)ccc2c1.
What is the InChIKey of 6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline?
The InChIKey is RYDKVYXZJGUQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-22(24)14-2-3-17-13(11-14)1-4-18(20-17)21-10-7-16(12-21)25-15-5-8-19-9-6-15/h1-6,8-9,11,16H,7,10,12H2.
What are the key properties of 6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline?
6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline has a molecular weight of 336.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline is sourced from PubChem (CID 71919769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).