2,4,6-trichloro-8-fluoro-7-iodoquinazoline

C8HCl3FIN2 — CID 130218460

IUPAC2,4,6-trichloro-8-fluoro-7-iodoquinazoline
SMILESFc1c(I)c(Cl)cc2c(Cl)nc(Cl)nc12
InChIInChI=1S/C8HCl3FIN2/c9-3-1-2-6(4(12)5(3)13)14-8(11)15-7(2)10/h1H
InChIKeyIFYBPUTXWUPWAH-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.33
Rot. Bonds

About 2,4,6-trichloro-8-fluoro-7-iodoquinazoline

2,4,6-trichloro-8-fluoro-7-iodoquinazoline (PubChem CID 130218460) has the molecular formula C8HCl3FIN2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2,4,6-trichloro-8-fluoro-7-iodoquinazoline.

Molecular Properties

Compound Name2,4,6-trichloro-8-fluoro-7-iodoquinazoline
PubChem CID130218460
Molecular FormulaC8HCl3FIN2
Molecular Weight377.37 g/mol
Exact Mass375.82
IUPAC Name2,4,6-trichloro-8-fluoro-7-iodoquinazoline
SMILESFc1c(I)c(Cl)cc2c(Cl)nc(Cl)nc12
InChIInChI=1S/C8HCl3FIN2/c9-3-1-2-6(4(12)5(3)13)14-8(11)15-7(2)10/h1H
InChIKeyIFYBPUTXWUPWAH-UHFFFAOYSA-N
XLogP4.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.33
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

7-bromo-2,4,6-trichloro-8-fluoroquinazoline;ethane
CID 156797358
7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline
CID 170926123
2,4,6,8-tetrachloroquinazoline
CID 12703363
6-bromo-2,4-dichloro-8-iodoquinazoline
CID 122519729
7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;methane
CID 163983248
2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline
CID 170624317
6-bromo-2,4,7-trichloroquinazoline
CID 45379709
2,4,7-trichloro-6-fluoropyrido[2,3-d]pyrimidine
CID 165124012
2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine
CID 167120223
6-bromo-2,4-dichloro-5,8-difluoroquinazoline
CID 176948856
6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione
CID 160733512
2,4-dichloro-8-prop-1-en-2-ylquinazoline
CID 89098883

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-8-fluoro-7-iodoquinazoline?
The IUPAC name of 2,4,6-trichloro-8-fluoro-7-iodoquinazoline (CID 130218460) is 2,4,6-trichloro-8-fluoro-7-iodoquinazoline.
What is the SMILES notation for 2,4,6-trichloro-8-fluoro-7-iodoquinazoline?
The canonical SMILES for 2,4,6-trichloro-8-fluoro-7-iodoquinazoline is Fc1c(I)c(Cl)cc2c(Cl)nc(Cl)nc12.
What is the InChIKey of 2,4,6-trichloro-8-fluoro-7-iodoquinazoline?
The InChIKey is IFYBPUTXWUPWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HCl3FIN2/c9-3-1-2-6(4(12)5(3)13)14-8(11)15-7(2)10/h1H.
What are the key properties of 2,4,6-trichloro-8-fluoro-7-iodoquinazoline?
2,4,6-trichloro-8-fluoro-7-iodoquinazoline has a molecular weight of 377.37 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-8-fluoro-7-iodoquinazoline is sourced from PubChem (CID 130218460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).