9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid

C12H10N2O3 — CID 2394026

IUPAC9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C12H10N2O3/c15-11-8-4-3-7(12(16)17)6-9(8)13-10-2-1-5-14(10)11/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeyOAPMUFFGYRXTNL-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.04
Rot. Bonds1

About 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid

9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (PubChem CID 2394026) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid
PubChem CID2394026
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C12H10N2O3/c15-11-8-4-3-7(12(16)17)6-9(8)13-10-2-1-5-14(10)11/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeyOAPMUFFGYRXTNL-UHFFFAOYSA-N
XLogP1.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid?
The IUPAC name of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (CID 2394026) is 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid.
What is the SMILES notation for 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid?
The canonical SMILES for 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid is O=C(O)c1ccc2c(=O)n3c(nc2c1)CCC3.
What is the InChIKey of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid?
The InChIKey is OAPMUFFGYRXTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-11-8-4-3-7(12(16)17)6-9(8)13-10-2-1-5-14(10)11/h3-4,6H,1-2,5H2,(H,16,17).
What are the key properties of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid?
9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid is sourced from PubChem (CID 2394026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).