2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one

C17H13N3O2 — CID 135741974

IUPAC2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one
SMILESCOc1ccc(-c2cc3c4ccccc4[nH]c(=O)n3n2)cc1
InChIInChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)18-17(21)20(16)19-15/h2-10H,1H3,(H,18,21)
InChIKeyOXRFIKGWGNTOAP-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.85
Rot. Bonds2

About 2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one

2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one (PubChem CID 135741974) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one
PubChem CID135741974
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one
SMILESCOc1ccc(-c2cc3c4ccccc4[nH]c(=O)n3n2)cc1
InChIInChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)18-17(21)20(16)19-15/h2-10H,1H3,(H,18,21)
InChIKeyOXRFIKGWGNTOAP-UHFFFAOYSA-N
XLogP2.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one (CID 135741974) is 2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one is COc1ccc(-c2cc3c4ccccc4[nH]c(=O)n3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
The InChIKey is OXRFIKGWGNTOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)18-17(21)20(16)19-15/h2-10H,1H3,(H,18,21).
What are the key properties of 2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one has a molecular weight of 291.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135741974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).