4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile

C10H6N2O2 — CID 54694513

IUPAC4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)
InChIKeyCRRUFISVDCIBAP-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.11
Rot. Bonds

About 4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile

4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 54694513) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID54694513
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)
InChIKeyCRRUFISVDCIBAP-UHFFFAOYSA-N
XLogP1.11
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile (CID 54694513) is 4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile is N#Cc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is CRRUFISVDCIBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14).
What are the key properties of 4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 186.17 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 54694513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).