7-Methoxyquinazoline

C9H8N2O — CID 12213273

IUPAC7-methoxyquinazoline
SMILESCOC1=CC2=NC=NC=C2C=C1
InChIInChI=1S/C9H8N2O/c1-12-8-3-2-7-5-10-6-11-9(7)4-8/h2-6H,1H3
InChIKeyCHRMMMLUWHPZAH-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.10
Rot. Bonds1

About 7-Methoxyquinazoline

7-Methoxyquinazoline (PubChem CID 12213273) has the molecular formula C9H8N2O and a molecular weight of 160.17 g/mol. Its IUPAC name is 7-methoxyquinazoline.

Molecular Properties

Compound Name7-Methoxyquinazoline
PubChem CID12213273
Molecular FormulaC9H8N2O
Molecular Weight160.17 g/mol
Exact Mass160.06
IUPAC Name7-methoxyquinazoline
SMILESCOC1=CC2=NC=NC=C2C=C1
InChIInChI=1S/C9H8N2O/c1-12-8-3-2-7-5-10-6-11-9(7)4-8/h2-6H,1H3
InChIKeyCHRMMMLUWHPZAH-UHFFFAOYSA-N
XLogP1.10
TPSA35.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity151

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-Methoxyquinazoline?
The IUPAC name of 7-Methoxyquinazoline (CID 12213273) is 7-methoxyquinazoline.
What is the SMILES notation for 7-Methoxyquinazoline?
The canonical SMILES for 7-Methoxyquinazoline is COC1=CC2=NC=NC=C2C=C1.
What is the InChIKey of 7-Methoxyquinazoline?
The InChIKey is CHRMMMLUWHPZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-12-8-3-2-7-5-10-6-11-9(7)4-8/h2-6H,1H3.
What are the key properties of 7-Methoxyquinazoline?
7-Methoxyquinazoline has a molecular weight of 160.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-Methoxyquinazoline is sourced from PubChem (CID 12213273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).