4-chloro-2-cyclobutyl-7-methoxyquinazoline

C13H13ClN2O — CID 90237162

IUPAC4-chloro-2-cyclobutyl-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(C3CCC3)nc2c1
InChIInChI=1S/C13H13ClN2O/c1-17-9-5-6-10-11(7-9)15-13(16-12(10)14)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyHHVIWFGGWFBOPO-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.56
Rot. Bonds2

About 4-chloro-2-cyclobutyl-7-methoxyquinazoline

4-chloro-2-cyclobutyl-7-methoxyquinazoline (PubChem CID 90237162) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-2-cyclobutyl-7-methoxyquinazoline.

Molecular Properties

Compound Name4-chloro-2-cyclobutyl-7-methoxyquinazoline
PubChem CID90237162
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-2-cyclobutyl-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(C3CCC3)nc2c1
InChIInChI=1S/C13H13ClN2O/c1-17-9-5-6-10-11(7-9)15-13(16-12(10)14)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyHHVIWFGGWFBOPO-UHFFFAOYSA-N
XLogP3.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclobutyl-7-methoxyquinazoline?
The IUPAC name of 4-chloro-2-cyclobutyl-7-methoxyquinazoline (CID 90237162) is 4-chloro-2-cyclobutyl-7-methoxyquinazoline.
What is the SMILES notation for 4-chloro-2-cyclobutyl-7-methoxyquinazoline?
The canonical SMILES for 4-chloro-2-cyclobutyl-7-methoxyquinazoline is COc1ccc2c(Cl)nc(C3CCC3)nc2c1.
What is the InChIKey of 4-chloro-2-cyclobutyl-7-methoxyquinazoline?
The InChIKey is HHVIWFGGWFBOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-17-9-5-6-10-11(7-9)15-13(16-12(10)14)8-3-2-4-8/h5-8H,2-4H2,1H3.
What are the key properties of 4-chloro-2-cyclobutyl-7-methoxyquinazoline?
4-chloro-2-cyclobutyl-7-methoxyquinazoline has a molecular weight of 248.71 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclobutyl-7-methoxyquinazoline is sourced from PubChem (CID 90237162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).