3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile

C12H10N2O2 — CID 71380383

IUPAC3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile
SMILESCCc1c(O)c(C#N)c2ccccn2c1=O
InChIInChI=1S/C12H10N2O2/c1-2-8-11(15)9(7-13)10-5-3-4-6-14(10)12(8)16/h3-6,15H,2H2,1H3
InChIKeyIWNLKAZWVPTISA-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.44
Rot. Bonds1

About 3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile

3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile (PubChem CID 71380383) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile
PubChem CID71380383
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile
SMILESCCc1c(O)c(C#N)c2ccccn2c1=O
InChIInChI=1S/C12H10N2O2/c1-2-8-11(15)9(7-13)10-5-3-4-6-14(10)12(8)16/h3-6,15H,2H2,1H3
InChIKeyIWNLKAZWVPTISA-UHFFFAOYSA-N
XLogP1.44
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile?
The IUPAC name of 3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile (CID 71380383) is 3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile.
What is the SMILES notation for 3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile?
The canonical SMILES for 3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile is CCc1c(O)c(C#N)c2ccccn2c1=O.
What is the InChIKey of 3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile?
The InChIKey is IWNLKAZWVPTISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-2-8-11(15)9(7-13)10-5-3-4-6-14(10)12(8)16/h3-6,15H,2H2,1H3.
What are the key properties of 3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile?
3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile has a molecular weight of 214.22 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-4-oxoquinolizine-1-carbonitrile is sourced from PubChem (CID 71380383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).