2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C18H15N3O3 — CID 135907012

IUPAC2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1OC
InChIInChI=1S/C18H15N3O3/c1-23-15-9-5-7-11(17(15)24-2)13-10-16-19-18(22)12-6-3-4-8-14(12)21(16)20-13/h3-10H,1-2H3,(H,19,22)
InChIKeyPQYRVDVXIYMQMP-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.86
Rot. Bonds3

About 2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135907012) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135907012
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1OC
InChIInChI=1S/C18H15N3O3/c1-23-15-9-5-7-11(17(15)24-2)13-10-16-19-18(22)12-6-3-4-8-14(12)21(16)20-13/h3-10H,1-2H3,(H,19,22)
InChIKeyPQYRVDVXIYMQMP-UHFFFAOYSA-N
XLogP2.86
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135907012) is 2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is COc1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is PQYRVDVXIYMQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-15-9-5-7-11(17(15)24-2)13-10-16-19-18(22)12-6-3-4-8-14(12)21(16)20-13/h3-10H,1-2H3,(H,19,22).
What are the key properties of 2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 321.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135907012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).