3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine

C15H19N3O3 — CID 64571925

IUPAC3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-3-15(16,4-2)10-21-13-8-7-12-11(6-5-9-17-12)14(13)18(19)20/h5-9H,3-4,10,16H2,1-2H3
InChIKeyHFLVNRYJKGTWLC-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.04
Rot. Bonds6

About 3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine

3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine (PubChem CID 64571925) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine
PubChem CID64571925
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-3-15(16,4-2)10-21-13-8-7-12-11(6-5-9-17-12)14(13)18(19)20/h5-9H,3-4,10,16H2,1-2H3
InChIKeyHFLVNRYJKGTWLC-UHFFFAOYSA-N
XLogP3.04
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine?
The IUPAC name of 3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine (CID 64571925) is 3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine is CCC(N)(CC)COc1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of 3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine?
The InChIKey is HFLVNRYJKGTWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-15(16,4-2)10-21-13-8-7-12-11(6-5-9-17-12)14(13)18(19)20/h5-9H,3-4,10,16H2,1-2H3.
What are the key properties of 3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine?
3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine has a molecular weight of 289.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine is sourced from PubChem (CID 64571925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).