2-[2-(quinazolin-4-ylamino)ethoxy]ethanol

C12H15N3O2 — CID 7140376

IUPAC2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
SMILESOCCOCCNc1ncnc2ccccc12
InChIInChI=1S/C12H15N3O2/c16-6-8-17-7-5-13-12-10-3-1-2-4-11(10)14-9-15-12/h1-4,9,16H,5-8H2,(H,13,14,15)
InChIKeyUAKFLXOTKJHCSP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.05
Rot. Bonds6

About 2-[2-(quinazolin-4-ylamino)ethoxy]ethanol

2-[2-(quinazolin-4-ylamino)ethoxy]ethanol (PubChem CID 7140376) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[2-(quinazolin-4-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
PubChem CID7140376
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
SMILESOCCOCCNc1ncnc2ccccc12
InChIInChI=1S/C12H15N3O2/c16-6-8-17-7-5-13-12-10-3-1-2-4-11(10)14-9-15-12/h1-4,9,16H,5-8H2,(H,13,14,15)
InChIKeyUAKFLXOTKJHCSP-UHFFFAOYSA-N
XLogP1.05
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(quinazolin-4-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(quinazolin-4-ylamino)ethoxy]ethanol (CID 7140376) is 2-[2-(quinazolin-4-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(quinazolin-4-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(quinazolin-4-ylamino)ethoxy]ethanol is OCCOCCNc1ncnc2ccccc12.
What is the InChIKey of 2-[2-(quinazolin-4-ylamino)ethoxy]ethanol?
The InChIKey is UAKFLXOTKJHCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-6-8-17-7-5-13-12-10-3-1-2-4-11(10)14-9-15-12/h1-4,9,16H,5-8H2,(H,13,14,15).
What are the key properties of 2-[2-(quinazolin-4-ylamino)ethoxy]ethanol?
2-[2-(quinazolin-4-ylamino)ethoxy]ethanol has a molecular weight of 233.27 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(quinazolin-4-ylamino)ethoxy]ethanol is sourced from PubChem (CID 7140376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).