(9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate

C13H10ClN3O3 — CID 135737589

IUPAC(9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate
SMILESCC(=O)OCc1cc2c3cc(Cl)ccc3[nH]c(=O)n2n1
InChIInChI=1S/C13H10ClN3O3/c1-7(18)20-6-9-5-12-10-4-8(14)2-3-11(10)15-13(19)17(12)16-9/h2-5H,6H2,1H3,(H,15,19)
InChIKeyWHDJBKDXZHPULV-UHFFFAOYSA-N
MW291.69 g/mol
LogP1.89
Rot. Bonds2

About (9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate

(9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate (PubChem CID 135737589) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is (9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate.

Molecular Properties

Compound Name(9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate
PubChem CID135737589
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name(9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate
SMILESCC(=O)OCc1cc2c3cc(Cl)ccc3[nH]c(=O)n2n1
InChIInChI=1S/C13H10ClN3O3/c1-7(18)20-6-9-5-12-10-4-8(14)2-3-11(10)15-13(19)17(12)16-9/h2-5H,6H2,1H3,(H,15,19)
InChIKeyWHDJBKDXZHPULV-UHFFFAOYSA-N
XLogP1.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate?
The IUPAC name of (9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate (CID 135737589) is (9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate.
What is the SMILES notation for (9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate?
The canonical SMILES for (9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate is CC(=O)OCc1cc2c3cc(Cl)ccc3[nH]c(=O)n2n1.
What is the InChIKey of (9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate?
The InChIKey is WHDJBKDXZHPULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-7(18)20-6-9-5-12-10-4-8(14)2-3-11(10)15-13(19)17(12)16-9/h2-5H,6H2,1H3,(H,15,19).
What are the key properties of (9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate?
(9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate has a molecular weight of 291.69 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-chloro-5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl acetate is sourced from PubChem (CID 135737589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).