5-bromo-2,4-dichloroquinazoline

C8H3BrCl2N2 — CID 19902148

IUPAC5-bromo-2,4-dichloroquinazoline
SMILESClc1nc(Cl)c2c(Br)cccc2n1
InChIInChI=1S/C8H3BrCl2N2/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H
InChIKeyJFJWOUKXMNABQC-UHFFFAOYSA-N
MW277.94 g/mol
LogP3.70
Rot. Bonds

About 5-bromo-2,4-dichloroquinazoline

5-bromo-2,4-dichloroquinazoline (PubChem CID 19902148) has the molecular formula C8H3BrCl2N2 and a molecular weight of 277.94 g/mol. Its IUPAC name is 5-bromo-2,4-dichloroquinazoline.

Molecular Properties

Compound Name5-bromo-2,4-dichloroquinazoline
PubChem CID19902148
Molecular FormulaC8H3BrCl2N2
Molecular Weight277.94 g/mol
Exact Mass275.89
IUPAC Name5-bromo-2,4-dichloroquinazoline
SMILESClc1nc(Cl)c2c(Br)cccc2n1
InChIInChI=1S/C8H3BrCl2N2/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H
InChIKeyJFJWOUKXMNABQC-UHFFFAOYSA-N
XLogP3.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.94
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dichloroquinazoline?
The IUPAC name of 5-bromo-2,4-dichloroquinazoline (CID 19902148) is 5-bromo-2,4-dichloroquinazoline.
What is the SMILES notation for 5-bromo-2,4-dichloroquinazoline?
The canonical SMILES for 5-bromo-2,4-dichloroquinazoline is Clc1nc(Cl)c2c(Br)cccc2n1.
What is the InChIKey of 5-bromo-2,4-dichloroquinazoline?
The InChIKey is JFJWOUKXMNABQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2N2/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H.
What are the key properties of 5-bromo-2,4-dichloroquinazoline?
5-bromo-2,4-dichloroquinazoline has a molecular weight of 277.94 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dichloroquinazoline is sourced from PubChem (CID 19902148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).