2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol

C15H20N2O2 — CID 54034458

IUPAC2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol
SMILESCc1c(C)c(C)c2c(C)nc(OCCO)nc2c1C
InChIInChI=1S/C15H20N2O2/c1-8-9(2)11(4)14-13(10(8)3)12(5)16-15(17-14)19-7-6-18/h18H,6-7H2,1-5H3
InChIKeyLHXPUMZJEPOXRL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.54
Rot. Bonds3

About 2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol

2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol (PubChem CID 54034458) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol.

Molecular Properties

Compound Name2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol
PubChem CID54034458
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol
SMILESCc1c(C)c(C)c2c(C)nc(OCCO)nc2c1C
InChIInChI=1S/C15H20N2O2/c1-8-9(2)11(4)14-13(10(8)3)12(5)16-15(17-14)19-7-6-18/h18H,6-7H2,1-5H3
InChIKeyLHXPUMZJEPOXRL-UHFFFAOYSA-N
XLogP2.54
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol?
The IUPAC name of 2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol (CID 54034458) is 2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol.
What is the SMILES notation for 2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol?
The canonical SMILES for 2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol is Cc1c(C)c(C)c2c(C)nc(OCCO)nc2c1C.
What is the InChIKey of 2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol?
The InChIKey is LHXPUMZJEPOXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-8-9(2)11(4)14-13(10(8)3)12(5)16-15(17-14)19-7-6-18/h18H,6-7H2,1-5H3.
What are the key properties of 2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol?
2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol has a molecular weight of 260.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol is sourced from PubChem (CID 54034458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).