7-bromo-4-chloro-2-ethylquinazoline

C10H8BrClN2 — CID 53404536

IUPAC7-bromo-4-chloro-2-ethylquinazoline
SMILESCCc1nc(Cl)c2ccc(Br)cc2n1
InChIInChI=1S/C10H8BrClN2/c1-2-9-13-8-5-6(11)3-4-7(8)10(12)14-9/h3-5H,2H2,1H3
InChIKeyONNFCCIZEBRGHU-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.61
Rot. Bonds1

About 7-bromo-4-chloro-2-ethylquinazoline

7-bromo-4-chloro-2-ethylquinazoline (PubChem CID 53404536) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-ethylquinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-2-ethylquinazoline
PubChem CID53404536
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name7-bromo-4-chloro-2-ethylquinazoline
SMILESCCc1nc(Cl)c2ccc(Br)cc2n1
InChIInChI=1S/C10H8BrClN2/c1-2-9-13-8-5-6(11)3-4-7(8)10(12)14-9/h3-5H,2H2,1H3
InChIKeyONNFCCIZEBRGHU-UHFFFAOYSA-N
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-ethylquinazoline?
The IUPAC name of 7-bromo-4-chloro-2-ethylquinazoline (CID 53404536) is 7-bromo-4-chloro-2-ethylquinazoline.
What is the SMILES notation for 7-bromo-4-chloro-2-ethylquinazoline?
The canonical SMILES for 7-bromo-4-chloro-2-ethylquinazoline is CCc1nc(Cl)c2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-4-chloro-2-ethylquinazoline?
The InChIKey is ONNFCCIZEBRGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c1-2-9-13-8-5-6(11)3-4-7(8)10(12)14-9/h3-5H,2H2,1H3.
What are the key properties of 7-bromo-4-chloro-2-ethylquinazoline?
7-bromo-4-chloro-2-ethylquinazoline has a molecular weight of 271.55 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-2-ethylquinazoline is sourced from PubChem (CID 53404536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).