7-bromo-4,6-dichloro-8-fluoroquinazoline

C8H2BrCl2FN2 — CID 118009673

IUPAC7-bromo-4,6-dichloro-8-fluoroquinazoline
SMILESFc1c(Br)c(Cl)cc2c(Cl)ncnc12
InChIInChI=1S/C8H2BrCl2FN2/c9-5-4(10)1-3-7(6(5)12)13-2-14-8(3)11/h1-2H
InChIKeyOETZGFXDAJQFQG-UHFFFAOYSA-N
MW295.93 g/mol
LogP3.84
Rot. Bonds

About 7-bromo-4,6-dichloro-8-fluoroquinazoline

7-bromo-4,6-dichloro-8-fluoroquinazoline (PubChem CID 118009673) has the molecular formula C8H2BrCl2FN2 and a molecular weight of 295.93 g/mol. Its IUPAC name is 7-bromo-4,6-dichloro-8-fluoroquinazoline.

Molecular Properties

Compound Name7-bromo-4,6-dichloro-8-fluoroquinazoline
PubChem CID118009673
Molecular FormulaC8H2BrCl2FN2
Molecular Weight295.93 g/mol
Exact Mass293.88
IUPAC Name7-bromo-4,6-dichloro-8-fluoroquinazoline
SMILESFc1c(Br)c(Cl)cc2c(Cl)ncnc12
InChIInChI=1S/C8H2BrCl2FN2/c9-5-4(10)1-3-7(6(5)12)13-2-14-8(3)11/h1-2H
InChIKeyOETZGFXDAJQFQG-UHFFFAOYSA-N
XLogP3.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.93
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-6-chloroquinazolin-4-amine
CID 11056756
7-Bromo-2,4-dichloroquinazoline
CID 34176248
4,6-Dichloroquinazoline
CID 246024
4,6,8-Trichloroquinazoline
CID 248130
6-Bromo-4-chloro-quinazoline
CID 16770310
8-Bromo-4-chloroquinazoline
CID 14397530
7-Bromo-4-chloroquinazoline
CID 16780855
4-Chloro-8-fluoroquinazoline
CID 19939133
6-Bromo-4-chloro-7-fluoroquinazoline
CID 57435181
7-Bromo-2,4-dichloro-6-fluoroquinazoline
CID 86665763
4-Chloro-7,8-difluoroquinazoline
CID 86811537
4,6-Dichloro-8-methylquinazoline
CID 87813076

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,6-dichloro-8-fluoroquinazoline?
The IUPAC name of 7-bromo-4,6-dichloro-8-fluoroquinazoline (CID 118009673) is 7-bromo-4,6-dichloro-8-fluoroquinazoline.
What is the SMILES notation for 7-bromo-4,6-dichloro-8-fluoroquinazoline?
The canonical SMILES for 7-bromo-4,6-dichloro-8-fluoroquinazoline is Fc1c(Br)c(Cl)cc2c(Cl)ncnc12.
What is the InChIKey of 7-bromo-4,6-dichloro-8-fluoroquinazoline?
The InChIKey is OETZGFXDAJQFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrCl2FN2/c9-5-4(10)1-3-7(6(5)12)13-2-14-8(3)11/h1-2H.
What are the key properties of 7-bromo-4,6-dichloro-8-fluoroquinazoline?
7-bromo-4,6-dichloro-8-fluoroquinazoline has a molecular weight of 295.93 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,6-dichloro-8-fluoroquinazoline is sourced from PubChem (CID 118009673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).