4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one

C19H17N3O2 — CID 1481851

IUPAC4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1cccc(Cn2c(=O)c3ccccc3n3nc(C)cc23)c1
InChIInChI=1S/C19H17N3O2/c1-13-10-18-21(12-14-6-5-7-15(11-14)24-2)19(23)16-8-3-4-9-17(16)22(18)20-13/h3-11H,12H2,1-2H3
InChIKeyWCCOELBOBWGEFZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.01
Rot. Bonds3

About 4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one

4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 1481851) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID1481851
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1cccc(Cn2c(=O)c3ccccc3n3nc(C)cc23)c1
InChIInChI=1S/C19H17N3O2/c1-13-10-18-21(12-14-6-5-7-15(11-14)24-2)19(23)16-8-3-4-9-17(16)22(18)20-13/h3-11H,12H2,1-2H3
InChIKeyWCCOELBOBWGEFZ-UHFFFAOYSA-N
XLogP3.01
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one (CID 1481851) is 4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one is COc1cccc(Cn2c(=O)c3ccccc3n3nc(C)cc23)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is WCCOELBOBWGEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-10-18-21(12-14-6-5-7-15(11-14)24-2)19(23)16-8-3-4-9-17(16)22(18)20-13/h3-11H,12H2,1-2H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 319.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 1481851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).