3-but-3-enyl-2-phenylquinoxalin-6-amine

C18H17N3 — CID 134312152

IUPAC3-but-3-enyl-2-phenylquinoxalin-6-amine
SMILESC=CCCc1nc2cc(N)ccc2nc1-c1ccccc1
InChIInChI=1S/C18H17N3/c1-2-3-9-16-18(13-7-5-4-6-8-13)21-15-11-10-14(19)12-17(15)20-16/h2,4-8,10-12H,1,3,9,19H2
InChIKeyIEEOEMSACJBIMA-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.00
Rot. Bonds4

About 3-but-3-enyl-2-phenylquinoxalin-6-amine

3-but-3-enyl-2-phenylquinoxalin-6-amine (PubChem CID 134312152) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-but-3-enyl-2-phenylquinoxalin-6-amine.

Molecular Properties

Compound Name3-but-3-enyl-2-phenylquinoxalin-6-amine
PubChem CID134312152
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name3-but-3-enyl-2-phenylquinoxalin-6-amine
SMILESC=CCCc1nc2cc(N)ccc2nc1-c1ccccc1
InChIInChI=1S/C18H17N3/c1-2-3-9-16-18(13-7-5-4-6-8-13)21-15-11-10-14(19)12-17(15)20-16/h2,4-8,10-12H,1,3,9,19H2
InChIKeyIEEOEMSACJBIMA-UHFFFAOYSA-N
XLogP4.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-2-phenylquinoxalin-6-amine?
The IUPAC name of 3-but-3-enyl-2-phenylquinoxalin-6-amine (CID 134312152) is 3-but-3-enyl-2-phenylquinoxalin-6-amine.
What is the SMILES notation for 3-but-3-enyl-2-phenylquinoxalin-6-amine?
The canonical SMILES for 3-but-3-enyl-2-phenylquinoxalin-6-amine is C=CCCc1nc2cc(N)ccc2nc1-c1ccccc1.
What is the InChIKey of 3-but-3-enyl-2-phenylquinoxalin-6-amine?
The InChIKey is IEEOEMSACJBIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-3-9-16-18(13-7-5-4-6-8-13)21-15-11-10-14(19)12-17(15)20-16/h2,4-8,10-12H,1,3,9,19H2.
What are the key properties of 3-but-3-enyl-2-phenylquinoxalin-6-amine?
3-but-3-enyl-2-phenylquinoxalin-6-amine has a molecular weight of 275.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-2-phenylquinoxalin-6-amine is sourced from PubChem (CID 134312152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).