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

C10H7BrClFN2O — CID 138958342

IUPAC6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline
SMILESCCOc1nc(Cl)c2cc(Br)cc(F)c2n1
InChIInChI=1S/C10H7BrClFN2O/c1-2-16-10-14-8-6(9(12)15-10)3-5(11)4-7(8)13/h3-4H,2H2,1H3
InChIKeyLTYXCCDEYUZQGD-UHFFFAOYSA-N
MW305.53 g/mol
LogP3.58
Rot. Bonds2

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

6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline (PubChem CID 138958342) has the molecular formula C10H7BrClFN2O and a molecular weight of 305.53 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline
PubChem CID138958342
Molecular FormulaC10H7BrClFN2O
Molecular Weight305.53 g/mol
Exact Mass303.94
IUPAC Name6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline
SMILESCCOc1nc(Cl)c2cc(Br)cc(F)c2n1
InChIInChI=1S/C10H7BrClFN2O/c1-2-16-10-14-8-6(9(12)15-10)3-5(11)4-7(8)13/h3-4H,2H2,1H3
InChIKeyLTYXCCDEYUZQGD-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline?
The IUPAC name of 6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline (CID 138958342) is 6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline.
What is the SMILES notation for 6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline?
The canonical SMILES for 6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline is CCOc1nc(Cl)c2cc(Br)cc(F)c2n1.
What is the InChIKey of 6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline?
The InChIKey is LTYXCCDEYUZQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN2O/c1-2-16-10-14-8-6(9(12)15-10)3-5(11)4-7(8)13/h3-4H,2H2,1H3.
What are the key properties of 6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline?
6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline has a molecular weight of 305.53 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-ethoxy-8-fluoroquinazoline is sourced from PubChem (CID 138958342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).