6-nitro-N-(2-phenylethyl)quinolin-4-amine

C17H15N3O2 — CID 146403434

IUPAC6-nitro-N-(2-phenylethyl)quinolin-4-amine
SMILESO=[N+]([O-])c1ccc2nccc(NCCc3ccccc3)c2c1
InChIInChI=1S/C17H15N3O2/c21-20(22)14-6-7-16-15(12-14)17(9-11-19-16)18-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,18,19)
InChIKeyGUHDQOLMPGEKMF-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.80
Rot. Bonds5

About 6-nitro-N-(2-phenylethyl)quinolin-4-amine

6-nitro-N-(2-phenylethyl)quinolin-4-amine (PubChem CID 146403434) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-nitro-N-(2-phenylethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-nitro-N-(2-phenylethyl)quinolin-4-amine
PubChem CID146403434
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name6-nitro-N-(2-phenylethyl)quinolin-4-amine
SMILESO=[N+]([O-])c1ccc2nccc(NCCc3ccccc3)c2c1
InChIInChI=1S/C17H15N3O2/c21-20(22)14-6-7-16-15(12-14)17(9-11-19-16)18-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,18,19)
InChIKeyGUHDQOLMPGEKMF-UHFFFAOYSA-N
XLogP3.80
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-nitro-N-(2-phenylethyl)quinolin-4-amine?
The IUPAC name of 6-nitro-N-(2-phenylethyl)quinolin-4-amine (CID 146403434) is 6-nitro-N-(2-phenylethyl)quinolin-4-amine.
What is the SMILES notation for 6-nitro-N-(2-phenylethyl)quinolin-4-amine?
The canonical SMILES for 6-nitro-N-(2-phenylethyl)quinolin-4-amine is O=[N+]([O-])c1ccc2nccc(NCCc3ccccc3)c2c1.
What is the InChIKey of 6-nitro-N-(2-phenylethyl)quinolin-4-amine?
The InChIKey is GUHDQOLMPGEKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-20(22)14-6-7-16-15(12-14)17(9-11-19-16)18-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,18,19).
What are the key properties of 6-nitro-N-(2-phenylethyl)quinolin-4-amine?
6-nitro-N-(2-phenylethyl)quinolin-4-amine has a molecular weight of 293.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(2-phenylethyl)quinolin-4-amine is sourced from PubChem (CID 146403434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).