7-(2-methoxyethoxy)-4-methylquinazoline

C12H14N2O2 — CID 156676083

IUPAC7-(2-methoxyethoxy)-4-methylquinazoline
SMILESCOCCOc1ccc2c(C)ncnc2c1
InChIInChI=1S/C12H14N2O2/c1-9-11-4-3-10(16-6-5-15-2)7-12(11)14-8-13-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUEKIKEIWVLAAMS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.96
Rot. Bonds4

About 7-(2-methoxyethoxy)-4-methylquinazoline

7-(2-methoxyethoxy)-4-methylquinazoline (PubChem CID 156676083) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 7-(2-methoxyethoxy)-4-methylquinazoline.

Molecular Properties

Compound Name7-(2-methoxyethoxy)-4-methylquinazoline
PubChem CID156676083
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name7-(2-methoxyethoxy)-4-methylquinazoline
SMILESCOCCOc1ccc2c(C)ncnc2c1
InChIInChI=1S/C12H14N2O2/c1-9-11-4-3-10(16-6-5-15-2)7-12(11)14-8-13-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUEKIKEIWVLAAMS-UHFFFAOYSA-N
XLogP1.96
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-(2-methoxyethoxy)-4-methylquinazoline?
The IUPAC name of 7-(2-methoxyethoxy)-4-methylquinazoline (CID 156676083) is 7-(2-methoxyethoxy)-4-methylquinazoline.
What is the SMILES notation for 7-(2-methoxyethoxy)-4-methylquinazoline?
The canonical SMILES for 7-(2-methoxyethoxy)-4-methylquinazoline is COCCOc1ccc2c(C)ncnc2c1.
What is the InChIKey of 7-(2-methoxyethoxy)-4-methylquinazoline?
The InChIKey is UEKIKEIWVLAAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-11-4-3-10(16-6-5-15-2)7-12(11)14-8-13-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 7-(2-methoxyethoxy)-4-methylquinazoline?
7-(2-methoxyethoxy)-4-methylquinazoline has a molecular weight of 218.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxy)-4-methylquinazoline is sourced from PubChem (CID 156676083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).