3-oxo-2-phenylcinnoline-4-carboxylic acid

C15H10N2O3 — CID 162401695

IUPAC3-oxo-2-phenylcinnoline-4-carboxylic acid
SMILESO=C(O)c1c(=O)n(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C15H10N2O3/c18-14-13(15(19)20)11-8-4-5-9-12(11)16-17(14)10-6-2-1-3-7-10/h1-9H,(H,19,20)
InChIKeyAQIIHZCZGOXOBK-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.08
Rot. Bonds2

About 3-oxo-2-phenylcinnoline-4-carboxylic acid

3-oxo-2-phenylcinnoline-4-carboxylic acid (PubChem CID 162401695) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-oxo-2-phenylcinnoline-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-phenylcinnoline-4-carboxylic acid
PubChem CID162401695
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name3-oxo-2-phenylcinnoline-4-carboxylic acid
SMILESO=C(O)c1c(=O)n(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C15H10N2O3/c18-14-13(15(19)20)11-8-4-5-9-12(11)16-17(14)10-6-2-1-3-7-10/h1-9H,(H,19,20)
InChIKeyAQIIHZCZGOXOBK-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-phenylcinnoline-4-carboxylic acid?
The IUPAC name of 3-oxo-2-phenylcinnoline-4-carboxylic acid (CID 162401695) is 3-oxo-2-phenylcinnoline-4-carboxylic acid.
What is the SMILES notation for 3-oxo-2-phenylcinnoline-4-carboxylic acid?
The canonical SMILES for 3-oxo-2-phenylcinnoline-4-carboxylic acid is O=C(O)c1c(=O)n(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 3-oxo-2-phenylcinnoline-4-carboxylic acid?
The InChIKey is AQIIHZCZGOXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-14-13(15(19)20)11-8-4-5-9-12(11)16-17(14)10-6-2-1-3-7-10/h1-9H,(H,19,20).
What are the key properties of 3-oxo-2-phenylcinnoline-4-carboxylic acid?
3-oxo-2-phenylcinnoline-4-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-phenylcinnoline-4-carboxylic acid is sourced from PubChem (CID 162401695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).