8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline

C13H12N4O — CID 133487402

IUPAC8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline
SMILESCc1cccc2c(Oc3cnn(C)c3)ncnc12
InChIInChI=1S/C13H12N4O/c1-9-4-3-5-11-12(9)14-8-15-13(11)18-10-6-16-17(2)7-10/h3-8H,1-2H3
InChIKeyMFBXVRJOGRZSNC-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.46
Rot. Bonds2

About 8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline

8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline (PubChem CID 133487402) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline.

Molecular Properties

Compound Name8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline
PubChem CID133487402
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline
SMILESCc1cccc2c(Oc3cnn(C)c3)ncnc12
InChIInChI=1S/C13H12N4O/c1-9-4-3-5-11-12(9)14-8-15-13(11)18-10-6-16-17(2)7-10/h3-8H,1-2H3
InChIKeyMFBXVRJOGRZSNC-UHFFFAOYSA-N
XLogP2.46
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline?
The IUPAC name of 8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline (CID 133487402) is 8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline.
What is the SMILES notation for 8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline?
The canonical SMILES for 8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline is Cc1cccc2c(Oc3cnn(C)c3)ncnc12.
What is the InChIKey of 8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline?
The InChIKey is MFBXVRJOGRZSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-4-3-5-11-12(9)14-8-15-13(11)18-10-6-16-17(2)7-10/h3-8H,1-2H3.
What are the key properties of 8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline?
8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline has a molecular weight of 240.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline is sourced from PubChem (CID 133487402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).