4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one

C16H15N3O2 — CID 115938928

IUPAC4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(=O)c1ccc(N2CC(=O)Nc3ccccc32)cn1
InChIInChI=1S/C16H15N3O2/c1-2-15(20)13-8-7-11(9-17-13)19-10-16(21)18-12-5-3-4-6-14(12)19/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyCIRHKHLPSWVVLZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.76
Rot. Bonds3

About 4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one

4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 115938928) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
PubChem CID115938928
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(=O)c1ccc(N2CC(=O)Nc3ccccc32)cn1
InChIInChI=1S/C16H15N3O2/c1-2-15(20)13-8-7-11(9-17-13)19-10-16(21)18-12-5-3-4-6-14(12)19/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyCIRHKHLPSWVVLZ-UHFFFAOYSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one (CID 115938928) is 4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one is CCC(=O)c1ccc(N2CC(=O)Nc3ccccc32)cn1.
What is the InChIKey of 4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is CIRHKHLPSWVVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-15(20)13-8-7-11(9-17-13)19-10-16(21)18-12-5-3-4-6-14(12)19/h3-9H,2,10H2,1H3,(H,18,21).
What are the key properties of 4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one?
4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 281.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 115938928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).