2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol

C16H18N4OS — CID 3230171

IUPAC2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol
SMILESOCCNc1c2c(nc3cc(-c4cccs4)nn13)CCCC2
InChIInChI=1S/C16H18N4OS/c21-8-7-17-16-11-4-1-2-5-12(11)18-15-10-13(19-20(15)16)14-6-3-9-22-14/h3,6,9-10,17,21H,1-2,4-5,7-8H2
InChIKeyRRNBLXBZJQAXPV-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.74
Rot. Bonds4

About 2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol

2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol (PubChem CID 3230171) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol
PubChem CID3230171
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol
SMILESOCCNc1c2c(nc3cc(-c4cccs4)nn13)CCCC2
InChIInChI=1S/C16H18N4OS/c21-8-7-17-16-11-4-1-2-5-12(11)18-15-10-13(19-20(15)16)14-6-3-9-22-14/h3,6,9-10,17,21H,1-2,4-5,7-8H2
InChIKeyRRNBLXBZJQAXPV-UHFFFAOYSA-N
XLogP2.74
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)amino]ethylazanium
CID 7435463
(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine
CID 82270494
3-[(2-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]propan-1-ol
CID 16668170
3-[[2-(4-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]amino]propan-1-ol
CID 3596340
3-[(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 3229955
2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 3230100
11-methyl-N-(pyridin-3-ylmethyl)-10-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 16668160
2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 3230162
(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270412
diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium
CID 7441022
N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
CID 3229956
3-[[11-methyl-10-(4-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]amino]propan-1-ol
CID 16668314

Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol?
The IUPAC name of 2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol (CID 3230171) is 2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol?
The canonical SMILES for 2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol is OCCNc1c2c(nc3cc(-c4cccs4)nn13)CCCC2.
What is the InChIKey of 2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol?
The InChIKey is RRNBLXBZJQAXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-8-7-17-16-11-4-1-2-5-12(11)18-15-10-13(19-20(15)16)14-6-3-9-22-14/h3,6,9-10,17,21H,1-2,4-5,7-8H2.
What are the key properties of 2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol?
2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol has a molecular weight of 314.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol is sourced from PubChem (CID 3230171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).