4-ethoxyquinazoline

C10H10N2O — CID 589708

IUPAC4-ethoxyquinazoline
SMILESCCOc1ncnc2ccccc12
InChIInChI=1S/C10H10N2O/c1-2-13-10-8-5-3-4-6-9(8)11-7-12-10/h3-7H,2H2,1H3
InChIKeyKHYIWRGNPLBXDS-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.03
Rot. Bonds2

About 4-ethoxyquinazoline

4-ethoxyquinazoline (PubChem CID 589708) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-ethoxyquinazoline.

Molecular Properties

Compound Name4-ethoxyquinazoline
PubChem CID589708
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-ethoxyquinazoline
SMILESCCOc1ncnc2ccccc12
InChIInChI=1S/C10H10N2O/c1-2-13-10-8-5-3-4-6-9(8)11-7-12-10/h3-7H,2H2,1H3
InChIKeyKHYIWRGNPLBXDS-UHFFFAOYSA-N
XLogP2.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxyquinazoline?
The IUPAC name of 4-ethoxyquinazoline (CID 589708) is 4-ethoxyquinazoline.
What is the SMILES notation for 4-ethoxyquinazoline?
The canonical SMILES for 4-ethoxyquinazoline is CCOc1ncnc2ccccc12.
What is the InChIKey of 4-ethoxyquinazoline?
The InChIKey is KHYIWRGNPLBXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-13-10-8-5-3-4-6-9(8)11-7-12-10/h3-7H,2H2,1H3.
What are the key properties of 4-ethoxyquinazoline?
4-ethoxyquinazoline has a molecular weight of 174.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyquinazoline is sourced from PubChem (CID 589708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).