2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

C14H13N3O2 — CID 819055

IUPAC2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3cc(-c4ccco4)[nH]n13)CCCC2
InChIInChI=1S/C14H13N3O2/c18-14-9-4-1-2-5-10(9)15-13-8-11(16-17(13)14)12-6-3-7-19-12/h3,6-8,16H,1-2,4-5H2
InChIKeyZBTALYUPPRPJFS-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.16
Rot. Bonds1

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

2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 819055) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID819055
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3cc(-c4ccco4)[nH]n13)CCCC2
InChIInChI=1S/C14H13N3O2/c18-14-9-4-1-2-5-10(9)15-13-8-11(16-17(13)14)12-6-3-7-19-12/h3,6-8,16H,1-2,4-5H2
InChIKeyZBTALYUPPRPJFS-UHFFFAOYSA-N
XLogP2.16
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813284
2-(2-furyl)-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1266395
6-cyclohexyl-5-(2-furyl)-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15958252
5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454792
6-Butyl-2-(2-furyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-one
CID 2818843
2-(2-Furyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 342597
2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 44522301
6-butyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813283
6-cyclohexyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813286
2-(2-Furyl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-one
CID 2819064
2-Furan-2-yl-5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 707969
2-(2-furyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1265958

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 819055) is 2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is O=c1c2c(nc3cc(-c4ccco4)[nH]n13)CCCC2.
What is the InChIKey of 2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is ZBTALYUPPRPJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14-9-4-1-2-5-10(9)15-13-8-11(16-17(13)14)12-6-3-7-19-12/h3,6-8,16H,1-2,4-5H2.
What are the key properties of 2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 255.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 819055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).