7-cyano-4-oxoquinolizine-2-carboxylic acid

C11H6N2O3 — CID 22988047

IUPAC7-cyano-4-oxoquinolizine-2-carboxylic acid
SMILESN#Cc1ccc2cc(C(=O)O)cc(=O)n2c1
InChIInChI=1S/C11H6N2O3/c12-5-7-1-2-9-3-8(11(15)16)4-10(14)13(9)6-7/h1-4,6H,(H,15,16)
InChIKeyUTZYEJJCZSJMMQ-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.87
Rot. Bonds1

About 7-cyano-4-oxoquinolizine-2-carboxylic acid

7-cyano-4-oxoquinolizine-2-carboxylic acid (PubChem CID 22988047) has the molecular formula C11H6N2O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is 7-cyano-4-oxoquinolizine-2-carboxylic acid.

Molecular Properties

Compound Name7-cyano-4-oxoquinolizine-2-carboxylic acid
PubChem CID22988047
Molecular FormulaC11H6N2O3
Molecular Weight214.18 g/mol
Exact Mass214.04
IUPAC Name7-cyano-4-oxoquinolizine-2-carboxylic acid
SMILESN#Cc1ccc2cc(C(=O)O)cc(=O)n2c1
InChIInChI=1S/C11H6N2O3/c12-5-7-1-2-9-3-8(11(15)16)4-10(14)13(9)6-7/h1-4,6H,(H,15,16)
InChIKeyUTZYEJJCZSJMMQ-UHFFFAOYSA-N
XLogP0.87
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyano-4-oxoquinolizine-2-carboxylic acid?
The IUPAC name of 7-cyano-4-oxoquinolizine-2-carboxylic acid (CID 22988047) is 7-cyano-4-oxoquinolizine-2-carboxylic acid.
What is the SMILES notation for 7-cyano-4-oxoquinolizine-2-carboxylic acid?
The canonical SMILES for 7-cyano-4-oxoquinolizine-2-carboxylic acid is N#Cc1ccc2cc(C(=O)O)cc(=O)n2c1.
What is the InChIKey of 7-cyano-4-oxoquinolizine-2-carboxylic acid?
The InChIKey is UTZYEJJCZSJMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3/c12-5-7-1-2-9-3-8(11(15)16)4-10(14)13(9)6-7/h1-4,6H,(H,15,16).
What are the key properties of 7-cyano-4-oxoquinolizine-2-carboxylic acid?
7-cyano-4-oxoquinolizine-2-carboxylic acid has a molecular weight of 214.18 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-4-oxoquinolizine-2-carboxylic acid is sourced from PubChem (CID 22988047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).