7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline

C8HBrCl2FIN2 — CID 170926123

IUPAC7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline
SMILESFc1cc2c(Cl)nc(Cl)nc2c(I)c1Br
InChIInChI=1S/C8HBrCl2FIN2/c9-4-3(12)1-2-6(5(4)13)14-8(11)15-7(2)10/h1H
InChIKeyBACMERIIPCNFKW-UHFFFAOYSA-N
MW421.82 g/mol
LogP4.44
Rot. Bonds

About 7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline

7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline (PubChem CID 170926123) has the molecular formula C8HBrCl2FIN2 and a molecular weight of 421.82 g/mol. Its IUPAC name is 7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline.

Molecular Properties

Compound Name7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline
PubChem CID170926123
Molecular FormulaC8HBrCl2FIN2
Molecular Weight421.82 g/mol
Exact Mass419.77
IUPAC Name7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline
SMILESFc1cc2c(Cl)nc(Cl)nc2c(I)c1Br
InChIInChI=1S/C8HBrCl2FIN2/c9-4-3(12)1-2-6(5(4)13)14-8(11)15-7(2)10/h1H
InChIKeyBACMERIIPCNFKW-UHFFFAOYSA-N
XLogP4.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.82
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trichloro-8-fluoro-7-iodoquinazoline
CID 130218460
6-bromo-2,4-dichloro-8-iodoquinazoline
CID 122519729
7-bromo-2,4,6-trichloro-8-fluoroquinazoline;ethane
CID 156797358
2,4,7-trichloro-6-fluoropyrido[2,3-d]pyrimidine
CID 165124012
6-bromo-2,4-dichloro-5,8-difluoroquinazoline
CID 176948856
2,4,6,8-tetrachloroquinazoline
CID 12703363
6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione
CID 160733512
2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline
CID 170624317
2,4-dichloro-6-fluoro-7-methylquinazoline
CID 167510683
2-bromo-4-chloro-8-fluoroquinazoline
CID 84806834
7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;methane
CID 163983248
6-bromo-2,4,7-trichloroquinazoline
CID 45379709

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline?
The IUPAC name of 7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline (CID 170926123) is 7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline.
What is the SMILES notation for 7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline?
The canonical SMILES for 7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline is Fc1cc2c(Cl)nc(Cl)nc2c(I)c1Br.
What is the InChIKey of 7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline?
The InChIKey is BACMERIIPCNFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HBrCl2FIN2/c9-4-3(12)1-2-6(5(4)13)14-8(11)15-7(2)10/h1H.
What are the key properties of 7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline?
7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline has a molecular weight of 421.82 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline is sourced from PubChem (CID 170926123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).