5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine

C10H8BrClFN3 — CID 114693416

IUPAC5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(Cl)nc2c(F)ccc(Br)c12
InChIInChI=1S/C10H8BrClFN3/c1-16(2)9-7-5(11)3-4-6(13)8(7)14-10(12)15-9/h3-4H,1-2H3
InChIKeyHRBJPZOHSLFGFX-UHFFFAOYSA-N
MW304.55 g/mol
LogP3.25
Rot. Bonds1

About 5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine

5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine (PubChem CID 114693416) has the molecular formula C10H8BrClFN3 and a molecular weight of 304.55 g/mol. Its IUPAC name is 5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine
PubChem CID114693416
Molecular FormulaC10H8BrClFN3
Molecular Weight304.55 g/mol
Exact Mass302.96
IUPAC Name5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(Cl)nc2c(F)ccc(Br)c12
InChIInChI=1S/C10H8BrClFN3/c1-16(2)9-7-5(11)3-4-6(13)8(7)14-10(12)15-9/h3-4H,1-2H3
InChIKeyHRBJPZOHSLFGFX-UHFFFAOYSA-N
XLogP3.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine (CID 114693416) is 5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine is CN(C)c1nc(Cl)nc2c(F)ccc(Br)c12.
What is the InChIKey of 5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine?
The InChIKey is HRBJPZOHSLFGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClFN3/c1-16(2)9-7-5(11)3-4-6(13)8(7)14-10(12)15-9/h3-4H,1-2H3.
What are the key properties of 5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine?
5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine has a molecular weight of 304.55 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-8-fluoro-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 114693416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).