2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol

C19H21FN4O — CID 1441769

IUPAC2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol
SMILESCN(CCO)c1c2c(nc3cc(-c4cccc(F)c4)nn13)CCCC2
InChIInChI=1S/C19H21FN4O/c1-23(9-10-25)19-15-7-2-3-8-16(15)21-18-12-17(22-24(18)19)13-5-4-6-14(20)11-13/h4-6,11-12,25H,2-3,7-10H2,1H3
InChIKeyUIHOALAMRKQDHV-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.84
Rot. Bonds4

About 2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol

2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol (PubChem CID 1441769) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol
PubChem CID1441769
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol
SMILESCN(CCO)c1c2c(nc3cc(-c4cccc(F)c4)nn13)CCCC2
InChIInChI=1S/C19H21FN4O/c1-23(9-10-25)19-15-7-2-3-8-16(15)21-18-12-17(22-24(18)19)13-5-4-6-14(20)11-13/h4-6,11-12,25H,2-3,7-10H2,1H3
InChIKeyUIHOALAMRKQDHV-UHFFFAOYSA-N
XLogP2.84
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol (CID 1441769) is 2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol is CN(CCO)c1c2c(nc3cc(-c4cccc(F)c4)nn13)CCCC2.
What is the InChIKey of 2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol?
The InChIKey is UIHOALAMRKQDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-23(9-10-25)19-15-7-2-3-8-16(15)21-18-12-17(22-24(18)19)13-5-4-6-14(20)11-13/h4-6,11-12,25H,2-3,7-10H2,1H3.
What are the key properties of 2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol?
2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol has a molecular weight of 340.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-methylamino]ethanol is sourced from PubChem (CID 1441769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).