4-methoxy-3-methyl-4H-quinazoline

C10H12N2O — CID 171384566

IUPAC4-methoxy-3-methyl-4H-quinazoline
SMILESCOC1c2ccccc2N=CN1C
InChIInChI=1S/C10H12N2O/c1-12-7-11-9-6-4-3-5-8(9)10(12)13-2/h3-7,10H,1-2H3
InChIKeyQUIBJVYXBIDGKY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.94
Rot. Bonds1

About 4-methoxy-3-methyl-4H-quinazoline

4-methoxy-3-methyl-4H-quinazoline (PubChem CID 171384566) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-methoxy-3-methyl-4H-quinazoline.

Molecular Properties

Compound Name4-methoxy-3-methyl-4H-quinazoline
PubChem CID171384566
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-methoxy-3-methyl-4H-quinazoline
SMILESCOC1c2ccccc2N=CN1C
InChIInChI=1S/C10H12N2O/c1-12-7-11-9-6-4-3-5-8(9)10(12)13-2/h3-7,10H,1-2H3
InChIKeyQUIBJVYXBIDGKY-UHFFFAOYSA-N
XLogP1.94
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-4H-quinazoline?
The IUPAC name of 4-methoxy-3-methyl-4H-quinazoline (CID 171384566) is 4-methoxy-3-methyl-4H-quinazoline.
What is the SMILES notation for 4-methoxy-3-methyl-4H-quinazoline?
The canonical SMILES for 4-methoxy-3-methyl-4H-quinazoline is COC1c2ccccc2N=CN1C.
What is the InChIKey of 4-methoxy-3-methyl-4H-quinazoline?
The InChIKey is QUIBJVYXBIDGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-7-11-9-6-4-3-5-8(9)10(12)13-2/h3-7,10H,1-2H3.
What are the key properties of 4-methoxy-3-methyl-4H-quinazoline?
4-methoxy-3-methyl-4H-quinazoline has a molecular weight of 176.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-4H-quinazoline is sourced from PubChem (CID 171384566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).