6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one

C8H3BrClIN2O — CID 167343616

IUPAC6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cl)nc2c(I)cc(Br)cc12
InChIInChI=1S/C8H3BrClIN2O/c9-3-1-4-6(5(11)2-3)12-8(10)13-7(4)14/h1-2H,(H,12,13,14)
InChIKeyHWCYQWVFFCUORR-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.94
Rot. Bonds

About 6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one

6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one (PubChem CID 167343616) has the molecular formula C8H3BrClIN2O and a molecular weight of 385.39 g/mol. Its IUPAC name is 6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one
PubChem CID167343616
Molecular FormulaC8H3BrClIN2O
Molecular Weight385.39 g/mol
Exact Mass383.82
IUPAC Name6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cl)nc2c(I)cc(Br)cc12
InChIInChI=1S/C8H3BrClIN2O/c9-3-1-4-6(5(11)2-3)12-8(10)13-7(4)14/h1-2H,(H,12,13,14)
InChIKeyHWCYQWVFFCUORR-UHFFFAOYSA-N
XLogP2.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2,4-dichloro-8-iodoquinazoline
CID 122519729
7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane
CID 166162597
6-bromo-2,8-dimethyl-3H-quinazolin-4-one
CID 137009991
2,6-dichloro-3H-quinazolin-4-one
CID 135742281
6-bromo-2-(chloromethyl)-8-methyl-3H-quinazolin-4-one
CID 136862960
6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 154222644
8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one
CID 136799212
5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one
CID 174974160
6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione
CID 160733512
6,8-dibromo-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135781280
2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 137315880
6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
CID 130983027

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one?
The IUPAC name of 6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one (CID 167343616) is 6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one.
What is the SMILES notation for 6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one?
The canonical SMILES for 6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one is O=c1[nH]c(Cl)nc2c(I)cc(Br)cc12.
What is the InChIKey of 6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one?
The InChIKey is HWCYQWVFFCUORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClIN2O/c9-3-1-4-6(5(11)2-3)12-8(10)13-7(4)14/h1-2H,(H,12,13,14).
What are the key properties of 6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one?
6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one has a molecular weight of 385.39 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one is sourced from PubChem (CID 167343616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).