6-iodo-1H-quinazoline-2,4-dione

HCID 11380668CAS 16353-27-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=c1[nH]c(=O)c2cc(I)ccc2[nH]1
InChIKey
NBSMJLABFCDYFQ-UHFFFAOYSA-N
Molecular formula
C8H5IN2O2
Average molar mass
288.04 g/mol
Monoisotopic mass
287.9395754

Names & identifiers

Preferred name
6-iodo-1H-quinazoline-2,4-dione
IUPAC
6-iodo-1H-quinazoline-2,4-dione
English name
6-Iodo-1H-quinazoline-2,4-dione
Molecular formula
C8H5IN2O2
Molecular weight
288.04

Names & synonyms

16353-27-86-iodo-1H-quinazoline-2,4-dioneDTXSID70464155RefChem:308627DTXCID304149746-Iodoquinazoline-2,4(1H,3H)-dioneMFCD090298142,4(1H,3H)-Quinazolinedione, 6-iodo-6-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione6-Iodo-2,4(1H,3H)-quinazolinedioneVT14176-Iodoquinazolinedione
Show more names
6-IODO-1,3-DIHYDROQUINAZOLINE-2,4-DIONE
6-Iodoquinazolin-2,4-Dione6-iodo-quinazoline-2,4-diolSCHEMBL3666779SCHEMBL3761274SCHEMBL20680521NBSMJLABFCDYFQ-UHFFFAOYSA-N6-Iodoquinazoline-2,4(1H,3H)6-iodoquinazolin-2,4(1H,3H)-dione

Database identifiers

CAS
16353-27-8
PubChem CID
11380668
DTXSID
DTXSID70464155
Nikkaji
J2.710.571H

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Melting point
300 °C · >300 °C(Solv: 1,4-dioxane (123-91-1))
Density
2.008 · 2.008±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
pka
10.03 · 10.03±0.20(Predicted)
Appearance
Light yellow to light brown Solid

Chemistry & industry

Suppliers32 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]

Related reactions

6 records
New reaction record

Linked notes

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