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

C16H17N3O2 — CID 44522301

IUPAC2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCc1cc(-c2cc3nc4c(c(=O)n3[nH]2)CCCC4)c(C)o1
InChIInChI=1S/C16H17N3O2/c1-9-7-12(10(2)21-9)14-8-15-17-13-6-4-3-5-11(13)16(20)19(15)18-14/h7-8,18H,3-6H2,1-2H3
InChIKeyHBNZPBHPSGGJGR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.78
Rot. Bonds1

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

2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 44522301) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID44522301
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCc1cc(-c2cc3nc4c(c(=O)n3[nH]2)CCCC4)c(C)o1
InChIInChI=1S/C16H17N3O2/c1-9-7-12(10(2)21-9)14-8-15-17-13-6-4-3-5-11(13)16(20)19(15)18-14/h7-8,18H,3-6H2,1-2H3
InChIKeyHBNZPBHPSGGJGR-UHFFFAOYSA-N
XLogP2.78
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 44522301) is 2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is Cc1cc(-c2cc3nc4c(c(=O)n3[nH]2)CCCC4)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is HBNZPBHPSGGJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-7-12(10(2)21-9)14-8-15-17-13-6-4-3-5-11(13)16(20)19(15)18-14/h7-8,18H,3-6H2,1-2H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 283.33 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 44522301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).