4,5-dichloro-2-ethylquinazoline

C10H8Cl2N2 — CID 114590314

IUPAC4,5-dichloro-2-ethylquinazoline
SMILESCCc1nc(Cl)c2c(Cl)cccc2n1
InChIInChI=1S/C10H8Cl2N2/c1-2-8-13-7-5-3-4-6(11)9(7)10(12)14-8/h3-5H,2H2,1H3
InChIKeyRKILMQMMIQNSKU-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.50
Rot. Bonds1

About 4,5-dichloro-2-ethylquinazoline

4,5-dichloro-2-ethylquinazoline (PubChem CID 114590314) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 4,5-dichloro-2-ethylquinazoline.

Molecular Properties

Compound Name4,5-dichloro-2-ethylquinazoline
PubChem CID114590314
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name4,5-dichloro-2-ethylquinazoline
SMILESCCc1nc(Cl)c2c(Cl)cccc2n1
InChIInChI=1S/C10H8Cl2N2/c1-2-8-13-7-5-3-4-6(11)9(7)10(12)14-8/h3-5H,2H2,1H3
InChIKeyRKILMQMMIQNSKU-UHFFFAOYSA-N
XLogP3.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-ethylquinazoline?
The IUPAC name of 4,5-dichloro-2-ethylquinazoline (CID 114590314) is 4,5-dichloro-2-ethylquinazoline.
What is the SMILES notation for 4,5-dichloro-2-ethylquinazoline?
The canonical SMILES for 4,5-dichloro-2-ethylquinazoline is CCc1nc(Cl)c2c(Cl)cccc2n1.
What is the InChIKey of 4,5-dichloro-2-ethylquinazoline?
The InChIKey is RKILMQMMIQNSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c1-2-8-13-7-5-3-4-6(11)9(7)10(12)14-8/h3-5H,2H2,1H3.
What are the key properties of 4,5-dichloro-2-ethylquinazoline?
4,5-dichloro-2-ethylquinazoline has a molecular weight of 227.09 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-ethylquinazoline is sourced from PubChem (CID 114590314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).