2,4,8-trichloro-7-methoxyquinazoline

C9H5Cl3N2O — CID 170552146

IUPAC2,4,8-trichloro-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(Cl)nc2c1Cl
InChIInChI=1S/C9H5Cl3N2O/c1-15-5-3-2-4-7(6(5)10)13-9(12)14-8(4)11/h2-3H,1H3
InChIKeyKCSNEPMOTCQVJB-UHFFFAOYSA-N
MW263.51 g/mol
LogP3.60
Rot. Bonds1

About 2,4,8-trichloro-7-methoxyquinazoline

2,4,8-trichloro-7-methoxyquinazoline (PubChem CID 170552146) has the molecular formula C9H5Cl3N2O and a molecular weight of 263.51 g/mol. Its IUPAC name is 2,4,8-trichloro-7-methoxyquinazoline.

Molecular Properties

Compound Name2,4,8-trichloro-7-methoxyquinazoline
PubChem CID170552146
Molecular FormulaC9H5Cl3N2O
Molecular Weight263.51 g/mol
Exact Mass261.95
IUPAC Name2,4,8-trichloro-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(Cl)nc2c1Cl
InChIInChI=1S/C9H5Cl3N2O/c1-15-5-3-2-4-7(6(5)10)13-9(12)14-8(4)11/h2-3H,1H3
InChIKeyKCSNEPMOTCQVJB-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,8-trichloro-7-methoxyquinazoline?
The IUPAC name of 2,4,8-trichloro-7-methoxyquinazoline (CID 170552146) is 2,4,8-trichloro-7-methoxyquinazoline.
What is the SMILES notation for 2,4,8-trichloro-7-methoxyquinazoline?
The canonical SMILES for 2,4,8-trichloro-7-methoxyquinazoline is COc1ccc2c(Cl)nc(Cl)nc2c1Cl.
What is the InChIKey of 2,4,8-trichloro-7-methoxyquinazoline?
The InChIKey is KCSNEPMOTCQVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2O/c1-15-5-3-2-4-7(6(5)10)13-9(12)14-8(4)11/h2-3H,1H3.
What are the key properties of 2,4,8-trichloro-7-methoxyquinazoline?
2,4,8-trichloro-7-methoxyquinazoline has a molecular weight of 263.51 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trichloro-7-methoxyquinazoline is sourced from PubChem (CID 170552146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).