4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile

C14H9N3O3 — CID 136597520

IUPAC4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile
SMILESCc1cc(-c2c(O)c3cc(C#N)ccc3[nH]c2=O)on1
InChIInChI=1S/C14H9N3O3/c1-7-4-11(20-17-7)12-13(18)9-5-8(6-15)2-3-10(9)16-14(12)19/h2-5H,1H3,(H2,16,18,19)
InChIKeyVZRGPXULGFIGKL-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.07
Rot. Bonds1

About 4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile

4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile (PubChem CID 136597520) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile
PubChem CID136597520
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile
SMILESCc1cc(-c2c(O)c3cc(C#N)ccc3[nH]c2=O)on1
InChIInChI=1S/C14H9N3O3/c1-7-4-11(20-17-7)12-13(18)9-5-8(6-15)2-3-10(9)16-14(12)19/h2-5H,1H3,(H2,16,18,19)
InChIKeyVZRGPXULGFIGKL-UHFFFAOYSA-N
XLogP2.07
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile?
The IUPAC name of 4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile (CID 136597520) is 4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile.
What is the SMILES notation for 4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile?
The canonical SMILES for 4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile is Cc1cc(-c2c(O)c3cc(C#N)ccc3[nH]c2=O)on1.
What is the InChIKey of 4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile?
The InChIKey is VZRGPXULGFIGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c1-7-4-11(20-17-7)12-13(18)9-5-8(6-15)2-3-10(9)16-14(12)19/h2-5H,1H3,(H2,16,18,19).
What are the key properties of 4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile?
4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile has a molecular weight of 267.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile is sourced from PubChem (CID 136597520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).