2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol

C22H33N5O2 — CID 59383866

IUPAC2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CCNc1nc(N2CC3CCC(CC3)C2)c2ccccc2n1
InChIInChI=1S/C22H33N5O2/c28-13-11-26(12-14-29)10-9-23-22-24-20-4-2-1-3-19(20)21(25-22)27-15-17-5-6-18(16-27)8-7-17/h1-4,17-18,28-29H,5-16H2,(H,23,24,25)
InChIKeyGZSNSZRIYBMZMN-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.95
Rot. Bonds9

About 2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol

2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 59383866) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
PubChem CID59383866
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CCNc1nc(N2CC3CCC(CC3)C2)c2ccccc2n1
InChIInChI=1S/C22H33N5O2/c28-13-11-26(12-14-29)10-9-23-22-24-20-4-2-1-3-19(20)21(25-22)27-15-17-5-6-18(16-27)8-7-17/h1-4,17-18,28-29H,5-16H2,(H,23,24,25)
InChIKeyGZSNSZRIYBMZMN-UHFFFAOYSA-N
XLogP1.95
TPSA84.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol (CID 59383866) is 2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CCNc1nc(N2CC3CCC(CC3)C2)c2ccccc2n1.
What is the InChIKey of 2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is GZSNSZRIYBMZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c28-13-11-26(12-14-29)10-9-23-22-24-20-4-2-1-3-19(20)21(25-22)27-15-17-5-6-18(16-27)8-7-17/h1-4,17-18,28-29H,5-16H2,(H,23,24,25).
What are the key properties of 2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 399.54 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 59383866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).