2-[(6-methoxyquinazolin-4-yl)amino]ethanol

C11H13N3O2 — CID 21002851

IUPAC2-[(6-methoxyquinazolin-4-yl)amino]ethanol
SMILESCOc1ccc2ncnc(NCCO)c2c1
InChIInChI=1S/C11H13N3O2/c1-16-8-2-3-10-9(6-8)11(12-4-5-15)14-7-13-10/h2-3,6-7,15H,4-5H2,1H3,(H,12,13,14)
InChIKeyIOHJSMDNJCOAMI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.04
Rot. Bonds4

About 2-[(6-methoxyquinazolin-4-yl)amino]ethanol

2-[(6-methoxyquinazolin-4-yl)amino]ethanol (PubChem CID 21002851) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[(6-methoxyquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-methoxyquinazolin-4-yl)amino]ethanol
PubChem CID21002851
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[(6-methoxyquinazolin-4-yl)amino]ethanol
SMILESCOc1ccc2ncnc(NCCO)c2c1
InChIInChI=1S/C11H13N3O2/c1-16-8-2-3-10-9(6-8)11(12-4-5-15)14-7-13-10/h2-3,6-7,15H,4-5H2,1H3,(H,12,13,14)
InChIKeyIOHJSMDNJCOAMI-UHFFFAOYSA-N
XLogP1.04
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxyquinazolin-4-yl)amino]ethanol?
The IUPAC name of 2-[(6-methoxyquinazolin-4-yl)amino]ethanol (CID 21002851) is 2-[(6-methoxyquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-methoxyquinazolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6-methoxyquinazolin-4-yl)amino]ethanol is COc1ccc2ncnc(NCCO)c2c1.
What is the InChIKey of 2-[(6-methoxyquinazolin-4-yl)amino]ethanol?
The InChIKey is IOHJSMDNJCOAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-8-2-3-10-9(6-8)11(12-4-5-15)14-7-13-10/h2-3,6-7,15H,4-5H2,1H3,(H,12,13,14).
What are the key properties of 2-[(6-methoxyquinazolin-4-yl)amino]ethanol?
2-[(6-methoxyquinazolin-4-yl)amino]ethanol has a molecular weight of 219.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxyquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 21002851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).