3-butyl-6-methyl-2-phenylquinoxaline

C19H20N2 — CID 122545907

IUPAC3-butyl-6-methyl-2-phenylquinoxaline
SMILESCCCCc1nc2cc(C)ccc2nc1-c1ccccc1
InChIInChI=1S/C19H20N2/c1-3-4-10-17-19(15-8-6-5-7-9-15)21-16-12-11-14(2)13-18(16)20-17/h5-9,11-13H,3-4,10H2,1-2H3
InChIKeyTXZDAVSPKAQPOC-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.95
Rot. Bonds4

About 3-butyl-6-methyl-2-phenylquinoxaline

3-butyl-6-methyl-2-phenylquinoxaline (PubChem CID 122545907) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-butyl-6-methyl-2-phenylquinoxaline.

Molecular Properties

Compound Name3-butyl-6-methyl-2-phenylquinoxaline
PubChem CID122545907
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name3-butyl-6-methyl-2-phenylquinoxaline
SMILESCCCCc1nc2cc(C)ccc2nc1-c1ccccc1
InChIInChI=1S/C19H20N2/c1-3-4-10-17-19(15-8-6-5-7-9-15)21-16-12-11-14(2)13-18(16)20-17/h5-9,11-13H,3-4,10H2,1-2H3
InChIKeyTXZDAVSPKAQPOC-UHFFFAOYSA-N
XLogP4.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methyl-2-phenylquinoxaline?
The IUPAC name of 3-butyl-6-methyl-2-phenylquinoxaline (CID 122545907) is 3-butyl-6-methyl-2-phenylquinoxaline.
What is the SMILES notation for 3-butyl-6-methyl-2-phenylquinoxaline?
The canonical SMILES for 3-butyl-6-methyl-2-phenylquinoxaline is CCCCc1nc2cc(C)ccc2nc1-c1ccccc1.
What is the InChIKey of 3-butyl-6-methyl-2-phenylquinoxaline?
The InChIKey is TXZDAVSPKAQPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-3-4-10-17-19(15-8-6-5-7-9-15)21-16-12-11-14(2)13-18(16)20-17/h5-9,11-13H,3-4,10H2,1-2H3.
What are the key properties of 3-butyl-6-methyl-2-phenylquinoxaline?
3-butyl-6-methyl-2-phenylquinoxaline has a molecular weight of 276.38 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methyl-2-phenylquinoxaline is sourced from PubChem (CID 122545907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).