12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid

C16H10N2O3 — CID 86164919

IUPAC12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid
SMILESO=C(O)c1cccc2c1CN1C(=O)c3ccccc3C1=N2
InChIInChI=1S/C16H10N2O3/c19-15-10-5-2-1-4-9(10)14-17-13-7-3-6-11(16(20)21)12(13)8-18(14)15/h1-7H,8H2,(H,20,21)
InChIKeyAZEFJRIQPIVIJL-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.43
Rot. Bonds1

About 12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid

12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid (PubChem CID 86164919) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid.

Molecular Properties

Compound Name12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid
PubChem CID86164919
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid
SMILESO=C(O)c1cccc2c1CN1C(=O)c3ccccc3C1=N2
InChIInChI=1S/C16H10N2O3/c19-15-10-5-2-1-4-9(10)14-17-13-7-3-6-11(16(20)21)12(13)8-18(14)15/h1-7H,8H2,(H,20,21)
InChIKeyAZEFJRIQPIVIJL-UHFFFAOYSA-N
XLogP2.43
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid?
The IUPAC name of 12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid (CID 86164919) is 12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid.
What is the SMILES notation for 12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid?
The canonical SMILES for 12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid is O=C(O)c1cccc2c1CN1C(=O)c3ccccc3C1=N2.
What is the InChIKey of 12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid?
The InChIKey is AZEFJRIQPIVIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c19-15-10-5-2-1-4-9(10)14-17-13-7-3-6-11(16(20)21)12(13)8-18(14)15/h1-7H,8H2,(H,20,21).
What are the key properties of 12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid?
12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid is sourced from PubChem (CID 86164919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).