4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione

C16H15N3O3 — CID 163261561

IUPAC4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(-c3cccnc3)cc2n(CCCO)c1=O
InChIInChI=1S/C16H15N3O3/c20-8-2-7-19-14-9-11(12-3-1-6-17-10-12)4-5-13(14)18-15(21)16(19)22/h1,3-6,9-10,20H,2,7-8H2,(H,18,21)
InChIKeyLXXVWQBKDYEHJT-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.13
Rot. Bonds4

About 4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione

4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione (PubChem CID 163261561) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione
PubChem CID163261561
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(-c3cccnc3)cc2n(CCCO)c1=O
InChIInChI=1S/C16H15N3O3/c20-8-2-7-19-14-9-11(12-3-1-6-17-10-12)4-5-13(14)18-15(21)16(19)22/h1,3-6,9-10,20H,2,7-8H2,(H,18,21)
InChIKeyLXXVWQBKDYEHJT-UHFFFAOYSA-N
XLogP1.13
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione (CID 163261561) is 4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione is O=c1[nH]c2ccc(-c3cccnc3)cc2n(CCCO)c1=O.
What is the InChIKey of 4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione?
The InChIKey is LXXVWQBKDYEHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-8-2-7-19-14-9-11(12-3-1-6-17-10-12)4-5-13(14)18-15(21)16(19)22/h1,3-6,9-10,20H,2,7-8H2,(H,18,21).
What are the key properties of 4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione?
4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione has a molecular weight of 297.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-6-pyridin-3-yl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 163261561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).