3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid

C13H10N2O3 — CID 10847727

IUPAC3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid
SMILESO=C(O)c1c2c(n[nH]c1=O)-c1ccccc1CC2
InChIInChI=1S/C13H10N2O3/c16-12-10(13(17)18)9-6-5-7-3-1-2-4-8(7)11(9)14-15-12/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyPMBCMAWQOIKFGM-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.23
Rot. Bonds1

About 3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid

3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid (PubChem CID 10847727) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid
PubChem CID10847727
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid
SMILESO=C(O)c1c2c(n[nH]c1=O)-c1ccccc1CC2
InChIInChI=1S/C13H10N2O3/c16-12-10(13(17)18)9-6-5-7-3-1-2-4-8(7)11(9)14-15-12/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyPMBCMAWQOIKFGM-UHFFFAOYSA-N
XLogP1.23
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid?
The IUPAC name of 3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid (CID 10847727) is 3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid.
What is the SMILES notation for 3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid?
The canonical SMILES for 3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid is O=C(O)c1c2c(n[nH]c1=O)-c1ccccc1CC2.
What is the InChIKey of 3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid?
The InChIKey is PMBCMAWQOIKFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-12-10(13(17)18)9-6-5-7-3-1-2-4-8(7)11(9)14-15-12/h1-4H,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid?
3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid is sourced from PubChem (CID 10847727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).