9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one

C18H19N3O2 — CID 137234417

IUPAC9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCOc1ccc(C2C3=C(CCCC3=O)Nc3cc(C)nn32)cc1
InChIInChI=1S/C18H19N3O2/c1-11-10-16-19-14-4-3-5-15(22)17(14)18(21(16)20-11)12-6-8-13(23-2)9-7-12/h6-10,18-19H,3-5H2,1-2H3
InChIKeyFFZHHAVSETWZMU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.22
Rot. Bonds2

About 9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one

9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 137234417) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID137234417
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCOc1ccc(C2C3=C(CCCC3=O)Nc3cc(C)nn32)cc1
InChIInChI=1S/C18H19N3O2/c1-11-10-16-19-14-4-3-5-15(22)17(14)18(21(16)20-11)12-6-8-13(23-2)9-7-12/h6-10,18-19H,3-5H2,1-2H3
InChIKeyFFZHHAVSETWZMU-UHFFFAOYSA-N
XLogP3.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (CID 137234417) is 9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is COc1ccc(C2C3=C(CCCC3=O)Nc3cc(C)nn32)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is FFZHHAVSETWZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-10-16-19-14-4-3-5-15(22)17(14)18(21(16)20-11)12-6-8-13(23-2)9-7-12/h6-10,18-19H,3-5H2,1-2H3.
What are the key properties of 9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 309.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 137234417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).