5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine

C16H14N4O2 — CID 51117035

IUPAC5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCCc2ccccn2)ccc2ncccc12
InChIInChI=1S/C16H14N4O2/c21-20(22)16-13-5-3-10-18-14(13)6-7-15(16)19-11-8-12-4-1-2-9-17-12/h1-7,9-10,19H,8,11H2
InChIKeyYKMJIWRBVRABDW-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.19
Rot. Bonds5

About 5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine

5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine (PubChem CID 51117035) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine.

Molecular Properties

Compound Name5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
PubChem CID51117035
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCCc2ccccn2)ccc2ncccc12
InChIInChI=1S/C16H14N4O2/c21-20(22)16-13-5-3-10-18-14(13)6-7-15(16)19-11-8-12-4-1-2-9-17-12/h1-7,9-10,19H,8,11H2
InChIKeyYKMJIWRBVRABDW-UHFFFAOYSA-N
XLogP3.19
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.19
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 5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine?
The IUPAC name of 5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine (CID 51117035) is 5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine.
What is the SMILES notation for 5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine?
The canonical SMILES for 5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine is O=[N+]([O-])c1c(NCCc2ccccn2)ccc2ncccc12.
What is the InChIKey of 5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine?
The InChIKey is YKMJIWRBVRABDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-20(22)16-13-5-3-10-18-14(13)6-7-15(16)19-11-8-12-4-1-2-9-17-12/h1-7,9-10,19H,8,11H2.
What are the key properties of 5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine?
5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine has a molecular weight of 294.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine is sourced from PubChem (CID 51117035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).