4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one

C14H13N3O2 — CID 155820968

IUPAC4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccncc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H13N3O2/c1-19-13-6-7-15-8-12(13)17-9-14(18)16-10-4-2-3-5-11(10)17/h2-8H,9H2,1H3,(H,16,18)
InChIKeyYKJGXEYZVBTHGM-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.18
Rot. Bonds2

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

4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 155820968) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
PubChem CID155820968
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccncc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H13N3O2/c1-19-13-6-7-15-8-12(13)17-9-14(18)16-10-4-2-3-5-11(10)17/h2-8H,9H2,1H3,(H,16,18)
InChIKeyYKJGXEYZVBTHGM-UHFFFAOYSA-N
XLogP2.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one (CID 155820968) is 4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one is COc1ccncc1N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is YKJGXEYZVBTHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-13-6-7-15-8-12(13)17-9-14(18)16-10-4-2-3-5-11(10)17/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one?
4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 255.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-pyridinyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 155820968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).