3-methoxy-2H-quinazoline

C9H10N2O — CID 143955533

IUPAC3-methoxy-2H-quinazoline
SMILESCON1C=c2ccccc2=NC1
InChIInChI=1S/C9H10N2O/c1-12-11-6-8-4-2-3-5-9(8)10-7-11/h2-6H,7H2,1H3
InChIKeyVXDCWYZHXAMVGQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.12
Rot. Bonds1

About 3-methoxy-2H-quinazoline

3-methoxy-2H-quinazoline (PubChem CID 143955533) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methoxy-2H-quinazoline.

Molecular Properties

Compound Name3-methoxy-2H-quinazoline
PubChem CID143955533
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-methoxy-2H-quinazoline
SMILESCON1C=c2ccccc2=NC1
InChIInChI=1S/C9H10N2O/c1-12-11-6-8-4-2-3-5-9(8)10-7-11/h2-6H,7H2,1H3
InChIKeyVXDCWYZHXAMVGQ-UHFFFAOYSA-N
XLogP-0.12
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2H-quinazoline?
The IUPAC name of 3-methoxy-2H-quinazoline (CID 143955533) is 3-methoxy-2H-quinazoline.
What is the SMILES notation for 3-methoxy-2H-quinazoline?
The canonical SMILES for 3-methoxy-2H-quinazoline is CON1C=c2ccccc2=NC1.
What is the InChIKey of 3-methoxy-2H-quinazoline?
The InChIKey is VXDCWYZHXAMVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-12-11-6-8-4-2-3-5-9(8)10-7-11/h2-6H,7H2,1H3.
What are the key properties of 3-methoxy-2H-quinazoline?
3-methoxy-2H-quinazoline has a molecular weight of 162.19 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2H-quinazoline is sourced from PubChem (CID 143955533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).