8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one

C10H5Cl2N3O — CID 135511825

IUPAC8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2c2ccnn12
InChIInChI=1S/C10H5Cl2N3O/c11-6-3-5-8(4-7(6)12)14-10(16)15-9(5)1-2-13-15/h1-4H,(H,14,16)
InChIKeyDUMQRBWBQHNOBZ-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.48
Rot. Bonds

About 8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one

8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one (PubChem CID 135511825) has the molecular formula C10H5Cl2N3O and a molecular weight of 254.08 g/mol. Its IUPAC name is 8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one
PubChem CID135511825
Molecular FormulaC10H5Cl2N3O
Molecular Weight254.08 g/mol
Exact Mass252.98
IUPAC Name8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2c2ccnn12
InChIInChI=1S/C10H5Cl2N3O/c11-6-3-5-8(4-7(6)12)14-10(16)15-9(5)1-2-13-15/h1-4H,(H,14,16)
InChIKeyDUMQRBWBQHNOBZ-UHFFFAOYSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one (CID 135511825) is 8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2cc(Cl)c(Cl)cc2c2ccnn12.
What is the InChIKey of 8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one?
The InChIKey is DUMQRBWBQHNOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O/c11-6-3-5-8(4-7(6)12)14-10(16)15-9(5)1-2-13-15/h1-4H,(H,14,16).
What are the key properties of 8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one?
8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one has a molecular weight of 254.08 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135511825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).