methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate

C12H11N3O3 — CID 11107600

IUPACmethyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate
SMILESCOC(=O)C1=NN2C(=O)Nc3ccccc3C2C1
InChIInChI=1S/C12H11N3O3/c1-18-11(16)9-6-10-7-4-2-3-5-8(7)13-12(17)15(10)14-9/h2-5,10H,6H2,1H3,(H,13,17)
InChIKeyZGBVSXNULFTKRH-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.51
Rot. Bonds1

About methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate

methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate (PubChem CID 11107600) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate
PubChem CID11107600
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Namemethyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate
SMILESCOC(=O)C1=NN2C(=O)Nc3ccccc3C2C1
InChIInChI=1S/C12H11N3O3/c1-18-11(16)9-6-10-7-4-2-3-5-8(7)13-12(17)15(10)14-9/h2-5,10H,6H2,1H3,(H,13,17)
InChIKeyZGBVSXNULFTKRH-UHFFFAOYSA-N
XLogP1.51
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate?
The IUPAC name of methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate (CID 11107600) is methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate.
What is the SMILES notation for methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate?
The canonical SMILES for methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate is COC(=O)C1=NN2C(=O)Nc3ccccc3C2C1.
What is the InChIKey of methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate?
The InChIKey is ZGBVSXNULFTKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-11(16)9-6-10-7-4-2-3-5-8(7)13-12(17)15(10)14-9/h2-5,10H,6H2,1H3,(H,13,17).
What are the key properties of methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate?
methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate has a molecular weight of 245.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate is sourced from PubChem (CID 11107600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).