3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

C18H19N3O2 — CID 6456513

IUPAC3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)c4c(nc23)CCCC4)cc1
InChIInChI=1S/C18H19N3O2/c1-11-16(12-7-9-13(23-2)10-8-12)17-19-15-6-4-3-5-14(15)18(22)21(17)20-11/h7-10,20H,3-6H2,1-2H3
InChIKeyDENUPMAGMYZCDO-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.89
Rot. Bonds2

About 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 6456513) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID6456513
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)c4c(nc23)CCCC4)cc1
InChIInChI=1S/C18H19N3O2/c1-11-16(12-7-9-13(23-2)10-8-12)17-19-15-6-4-3-5-14(15)18(22)21(17)20-11/h7-10,20H,3-6H2,1-2H3
InChIKeyDENUPMAGMYZCDO-UHFFFAOYSA-N
XLogP2.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 6456513) is 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is COc1ccc(-c2c(C)[nH]n3c(=O)c4c(nc23)CCCC4)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is DENUPMAGMYZCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-16(12-7-9-13(23-2)10-8-12)17-19-15-6-4-3-5-14(15)18(22)21(17)20-11/h7-10,20H,3-6H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 309.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 6456513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).