6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline

C10H7BrClFN2 — CID 114590971

IUPAC6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline
SMILESCCc1nc(Cl)c2cc(Br)cc(F)c2n1
InChIInChI=1S/C10H7BrClFN2/c1-2-8-14-9-6(10(12)15-8)3-5(11)4-7(9)13/h3-4H,2H2,1H3
InChIKeyTYWKBTOVBRPIDC-UHFFFAOYSA-N
MW289.54 g/mol
LogP3.75
Rot. Bonds1

About 6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline

6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline (PubChem CID 114590971) has the molecular formula C10H7BrClFN2 and a molecular weight of 289.54 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline
PubChem CID114590971
Molecular FormulaC10H7BrClFN2
Molecular Weight289.54 g/mol
Exact Mass287.95
IUPAC Name6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline
SMILESCCc1nc(Cl)c2cc(Br)cc(F)c2n1
InChIInChI=1S/C10H7BrClFN2/c1-2-8-14-9-6(10(12)15-8)3-5(11)4-7(9)13/h3-4H,2H2,1H3
InChIKeyTYWKBTOVBRPIDC-UHFFFAOYSA-N
XLogP3.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline?
The IUPAC name of 6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline (CID 114590971) is 6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline.
What is the SMILES notation for 6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline?
The canonical SMILES for 6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline is CCc1nc(Cl)c2cc(Br)cc(F)c2n1.
What is the InChIKey of 6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline?
The InChIKey is TYWKBTOVBRPIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN2/c1-2-8-14-9-6(10(12)15-8)3-5(11)4-7(9)13/h3-4H,2H2,1H3.
What are the key properties of 6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline?
6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline has a molecular weight of 289.54 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-ethyl-8-fluoroquinazoline is sourced from PubChem (CID 114590971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).