4-phenylselanylquinolin-3-amine

C15H12N2Se — CID 177465835

IUPAC4-phenylselanylquinolin-3-amine
SMILESNc1cnc2ccccc2c1[Se]c1ccccc1
InChIInChI=1S/C15H12N2Se/c16-13-10-17-14-9-5-4-8-12(14)15(13)18-11-6-2-1-3-7-11/h1-10H,16H2
InChIKeyXYAJTQJSNQOFRL-UHFFFAOYSA-N
MW299.24 g/mol
LogP1.47
Rot. Bonds2

About 4-phenylselanylquinolin-3-amine

4-phenylselanylquinolin-3-amine (PubChem CID 177465835) has the molecular formula C15H12N2Se and a molecular weight of 299.24 g/mol. Its IUPAC name is 4-phenylselanylquinolin-3-amine.

Molecular Properties

Compound Name4-phenylselanylquinolin-3-amine
PubChem CID177465835
Molecular FormulaC15H12N2Se
Molecular Weight299.24 g/mol
Exact Mass300.02
IUPAC Name4-phenylselanylquinolin-3-amine
SMILESNc1cnc2ccccc2c1[Se]c1ccccc1
InChIInChI=1S/C15H12N2Se/c16-13-10-17-14-9-5-4-8-12(14)15(13)18-11-6-2-1-3-7-11/h1-10H,16H2
InChIKeyXYAJTQJSNQOFRL-UHFFFAOYSA-N
XLogP1.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylbutan-2-yloxy)quinolin-3-amine
CID 113359457
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-(difluoromethyl)quinolin-3-amine
CID 178080175
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-(4-methoxyphenyl)-3-phenylselanylquinoline
CID 86038980
4-(1,2,4-triazol-1-yl)quinolin-3-amine
CID 103963559
1-(3-aminoquinolin-4-yl)ethanol
CID 118547425
4-prop-1-en-2-ylquinolin-3-amine
CID 135324599
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-cyclobutyloxyquinolin-3-amine
CID 103963709
acridin-9-amine;λ2-plumbane
CID 173496858
hydron;quinazolin-4-amine
CID 174478214

Frequently Asked Questions

What is the IUPAC name of 4-phenylselanylquinolin-3-amine?
The IUPAC name of 4-phenylselanylquinolin-3-amine (CID 177465835) is 4-phenylselanylquinolin-3-amine.
What is the SMILES notation for 4-phenylselanylquinolin-3-amine?
The canonical SMILES for 4-phenylselanylquinolin-3-amine is Nc1cnc2ccccc2c1[Se]c1ccccc1.
What is the InChIKey of 4-phenylselanylquinolin-3-amine?
The InChIKey is XYAJTQJSNQOFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2Se/c16-13-10-17-14-9-5-4-8-12(14)15(13)18-11-6-2-1-3-7-11/h1-10H,16H2.
What are the key properties of 4-phenylselanylquinolin-3-amine?
4-phenylselanylquinolin-3-amine has a molecular weight of 299.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylselanylquinolin-3-amine is sourced from PubChem (CID 177465835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).