8-methoxy-6-propan-2-ylquinazoline

C12H14N2O — CID 159245252

IUPAC8-methoxy-6-propan-2-ylquinazoline
SMILESCOc1cc(C(C)C)cc2cncnc12
InChIInChI=1S/C12H14N2O/c1-8(2)9-4-10-6-13-7-14-12(10)11(5-9)15-3/h4-8H,1-3H3
InChIKeyIBEYSPIIXIUAHZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.76
Rot. Bonds2

About 8-methoxy-6-propan-2-ylquinazoline

8-methoxy-6-propan-2-ylquinazoline (PubChem CID 159245252) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 8-methoxy-6-propan-2-ylquinazoline.

Molecular Properties

Compound Name8-methoxy-6-propan-2-ylquinazoline
PubChem CID159245252
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name8-methoxy-6-propan-2-ylquinazoline
SMILESCOc1cc(C(C)C)cc2cncnc12
InChIInChI=1S/C12H14N2O/c1-8(2)9-4-10-6-13-7-14-12(10)11(5-9)15-3/h4-8H,1-3H3
InChIKeyIBEYSPIIXIUAHZ-UHFFFAOYSA-N
XLogP2.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-propan-2-ylquinazoline?
The IUPAC name of 8-methoxy-6-propan-2-ylquinazoline (CID 159245252) is 8-methoxy-6-propan-2-ylquinazoline.
What is the SMILES notation for 8-methoxy-6-propan-2-ylquinazoline?
The canonical SMILES for 8-methoxy-6-propan-2-ylquinazoline is COc1cc(C(C)C)cc2cncnc12.
What is the InChIKey of 8-methoxy-6-propan-2-ylquinazoline?
The InChIKey is IBEYSPIIXIUAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(2)9-4-10-6-13-7-14-12(10)11(5-9)15-3/h4-8H,1-3H3.
What are the key properties of 8-methoxy-6-propan-2-ylquinazoline?
8-methoxy-6-propan-2-ylquinazoline has a molecular weight of 202.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-propan-2-ylquinazoline is sourced from PubChem (CID 159245252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).