2-chloro-4-pentan-2-yloxyquinazoline

C13H15ClN2O — CID 102981560

IUPAC2-chloro-4-pentan-2-yloxyquinazoline
SMILESCCCC(C)Oc1nc(Cl)nc2ccccc12
InChIInChI=1S/C13H15ClN2O/c1-3-6-9(2)17-12-10-7-4-5-8-11(10)15-13(14)16-12/h4-5,7-9H,3,6H2,1-2H3
InChIKeyRZXHRNRRONDTMD-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.85
Rot. Bonds4

About 2-chloro-4-pentan-2-yloxyquinazoline

2-chloro-4-pentan-2-yloxyquinazoline (PubChem CID 102981560) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-4-pentan-2-yloxyquinazoline.

Molecular Properties

Compound Name2-chloro-4-pentan-2-yloxyquinazoline
PubChem CID102981560
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-4-pentan-2-yloxyquinazoline
SMILESCCCC(C)Oc1nc(Cl)nc2ccccc12
InChIInChI=1S/C13H15ClN2O/c1-3-6-9(2)17-12-10-7-4-5-8-11(10)15-13(14)16-12/h4-5,7-9H,3,6H2,1-2H3
InChIKeyRZXHRNRRONDTMD-UHFFFAOYSA-N
XLogP3.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pentan-2-yloxyquinazoline?
The IUPAC name of 2-chloro-4-pentan-2-yloxyquinazoline (CID 102981560) is 2-chloro-4-pentan-2-yloxyquinazoline.
What is the SMILES notation for 2-chloro-4-pentan-2-yloxyquinazoline?
The canonical SMILES for 2-chloro-4-pentan-2-yloxyquinazoline is CCCC(C)Oc1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-4-pentan-2-yloxyquinazoline?
The InChIKey is RZXHRNRRONDTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-6-9(2)17-12-10-7-4-5-8-11(10)15-13(14)16-12/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 2-chloro-4-pentan-2-yloxyquinazoline?
2-chloro-4-pentan-2-yloxyquinazoline has a molecular weight of 250.73 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pentan-2-yloxyquinazoline is sourced from PubChem (CID 102981560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).