4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one

C20H15N3O3 — CID 122180908

IUPAC4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cncc(-c3cccc(O)c3)c2)c2ccccc2N1
InChIInChI=1S/C20H15N3O3/c24-16-5-3-4-13(9-16)14-8-15(11-21-10-14)20(26)23-12-19(25)22-17-6-1-2-7-18(17)23/h1-11,24H,12H2,(H,22,25)
InChIKeyLLXLVNCUSHNQDW-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.05
Rot. Bonds2

About 4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one

4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 122180908) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID122180908
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cncc(-c3cccc(O)c3)c2)c2ccccc2N1
InChIInChI=1S/C20H15N3O3/c24-16-5-3-4-13(9-16)14-8-15(11-21-10-14)20(26)23-12-19(25)22-17-6-1-2-7-18(17)23/h1-11,24H,12H2,(H,22,25)
InChIKeyLLXLVNCUSHNQDW-UHFFFAOYSA-N
XLogP3.05
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 122180908) is 4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2cncc(-c3cccc(O)c3)c2)c2ccccc2N1.
What is the InChIKey of 4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is LLXLVNCUSHNQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-16-5-3-4-13(9-16)14-8-15(11-21-10-14)20(26)23-12-19(25)22-17-6-1-2-7-18(17)23/h1-11,24H,12H2,(H,22,25).
What are the key properties of 4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 345.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-hydroxyphenyl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 122180908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).