2,4,5-trichloro-6-ethoxyquinazoline

C10H7Cl3N2O — CID 147449171

IUPAC2,4,5-trichloro-6-ethoxyquinazoline
SMILESCCOc1ccc2nc(Cl)nc(Cl)c2c1Cl
InChIInChI=1S/C10H7Cl3N2O/c1-2-16-6-4-3-5-7(8(6)11)9(12)15-10(13)14-5/h3-4H,2H2,1H3
InChIKeyDXSOHWXDVLLGKC-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.99
Rot. Bonds2

About 2,4,5-trichloro-6-ethoxyquinazoline

2,4,5-trichloro-6-ethoxyquinazoline (PubChem CID 147449171) has the molecular formula C10H7Cl3N2O and a molecular weight of 277.54 g/mol. Its IUPAC name is 2,4,5-trichloro-6-ethoxyquinazoline.

Molecular Properties

Compound Name2,4,5-trichloro-6-ethoxyquinazoline
PubChem CID147449171
Molecular FormulaC10H7Cl3N2O
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name2,4,5-trichloro-6-ethoxyquinazoline
SMILESCCOc1ccc2nc(Cl)nc(Cl)c2c1Cl
InChIInChI=1S/C10H7Cl3N2O/c1-2-16-6-4-3-5-7(8(6)11)9(12)15-10(13)14-5/h3-4H,2H2,1H3
InChIKeyDXSOHWXDVLLGKC-UHFFFAOYSA-N
XLogP3.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-6-ethoxyquinazoline?
The IUPAC name of 2,4,5-trichloro-6-ethoxyquinazoline (CID 147449171) is 2,4,5-trichloro-6-ethoxyquinazoline.
What is the SMILES notation for 2,4,5-trichloro-6-ethoxyquinazoline?
The canonical SMILES for 2,4,5-trichloro-6-ethoxyquinazoline is CCOc1ccc2nc(Cl)nc(Cl)c2c1Cl.
What is the InChIKey of 2,4,5-trichloro-6-ethoxyquinazoline?
The InChIKey is DXSOHWXDVLLGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2O/c1-2-16-6-4-3-5-7(8(6)11)9(12)15-10(13)14-5/h3-4H,2H2,1H3.
What are the key properties of 2,4,5-trichloro-6-ethoxyquinazoline?
2,4,5-trichloro-6-ethoxyquinazoline has a molecular weight of 277.54 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-6-ethoxyquinazoline is sourced from PubChem (CID 147449171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).