1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone

C16H17N3O — CID 83119857

IUPAC1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C)c3ccccc32)cn1
InChIInChI=1S/C16H17N3O/c1-12(20)14-8-7-13(11-17-14)19-10-9-18(2)15-5-3-4-6-16(15)19/h3-8,11H,9-10H2,1-2H3
InChIKeyZUFQTANDUCEHFN-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.87
Rot. Bonds2

About 1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone

1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone (PubChem CID 83119857) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone
PubChem CID83119857
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C)c3ccccc32)cn1
InChIInChI=1S/C16H17N3O/c1-12(20)14-8-7-13(11-17-14)19-10-9-18(2)15-5-3-4-6-16(15)19/h3-8,11H,9-10H2,1-2H3
InChIKeyZUFQTANDUCEHFN-UHFFFAOYSA-N
XLogP2.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone (CID 83119857) is 1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone is CC(=O)c1ccc(N2CCN(C)c3ccccc32)cn1.
What is the InChIKey of 1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone?
The InChIKey is ZUFQTANDUCEHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(20)14-8-7-13(11-17-14)19-10-9-18(2)15-5-3-4-6-16(15)19/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone?
1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 83119857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).