2-hydroxy-4-oxoquinolizine-1-carbonitrile

C10H6N2O2 — CID 54680755

IUPAC2-hydroxy-4-oxoquinolizine-1-carbonitrile
SMILESN#Cc1c(O)cc(=O)n2ccccc12
InChIInChI=1S/C10H6N2O2/c11-6-7-8-3-1-2-4-12(8)10(14)5-9(7)13/h1-5,13H
InChIKeyBFWOFSBXWGLHDQ-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.88
Rot. Bonds

About 2-hydroxy-4-oxoquinolizine-1-carbonitrile

2-hydroxy-4-oxoquinolizine-1-carbonitrile (PubChem CID 54680755) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-hydroxy-4-oxoquinolizine-1-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-oxoquinolizine-1-carbonitrile
PubChem CID54680755
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name2-hydroxy-4-oxoquinolizine-1-carbonitrile
SMILESN#Cc1c(O)cc(=O)n2ccccc12
InChIInChI=1S/C10H6N2O2/c11-6-7-8-3-1-2-4-12(8)10(14)5-9(7)13/h1-5,13H
InChIKeyBFWOFSBXWGLHDQ-UHFFFAOYSA-N
XLogP0.88
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4H-quinolizine-1-carbonitrile
CID 15526323
7-Hydroxy-2-methylquinolizin-4-one
CID 21364157
8-Hydroxy-2-methylquinolizin-4-one
CID 54716508
2-Hydroxy-8-methylquinolizin-4-one
CID 163968891
7-Cyano-4-oxoquinolizine-2-carboxylic acid
CID 22988047
3-Ethyl-2-hydroxy-4-oxo-4H-quinolizine-1-carbonitrile
CID 71380383
4-Oxoquinolizine-1,2-dicarbonitrile
CID 121218963

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxoquinolizine-1-carbonitrile?
The IUPAC name of 2-hydroxy-4-oxoquinolizine-1-carbonitrile (CID 54680755) is 2-hydroxy-4-oxoquinolizine-1-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-oxoquinolizine-1-carbonitrile?
The canonical SMILES for 2-hydroxy-4-oxoquinolizine-1-carbonitrile is N#Cc1c(O)cc(=O)n2ccccc12.
What is the InChIKey of 2-hydroxy-4-oxoquinolizine-1-carbonitrile?
The InChIKey is BFWOFSBXWGLHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c11-6-7-8-3-1-2-4-12(8)10(14)5-9(7)13/h1-5,13H.
What are the key properties of 2-hydroxy-4-oxoquinolizine-1-carbonitrile?
2-hydroxy-4-oxoquinolizine-1-carbonitrile has a molecular weight of 186.17 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxoquinolizine-1-carbonitrile is sourced from PubChem (CID 54680755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).