8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione

C9H4ClF3N2O2 — CID 156808240

IUPAC8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(C(F)(F)F)cc(Cl)c2[nH]1
InChIInChI=1S/C9H4ClF3N2O2/c10-5-2-3(9(11,12)13)1-4-6(5)14-8(17)15-7(4)16/h1-2H,(H2,14,15,16,17)
InChIKeyHMQUAVIBAPYGBW-UHFFFAOYSA-N
MW264.59 g/mol
LogP1.89
Rot. Bonds

About 8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione

8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 156808240) has the molecular formula C9H4ClF3N2O2 and a molecular weight of 264.59 g/mol. Its IUPAC name is 8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID156808240
Molecular FormulaC9H4ClF3N2O2
Molecular Weight264.59 g/mol
Exact Mass263.99
IUPAC Name8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(C(F)(F)F)cc(Cl)c2[nH]1
InChIInChI=1S/C9H4ClF3N2O2/c10-5-2-3(9(11,12)13)1-4-6(5)14-8(17)15-7(4)16/h1-2H,(H2,14,15,16,17)
InChIKeyHMQUAVIBAPYGBW-UHFFFAOYSA-N
XLogP1.89
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione
CID 118010690
8-(3-hydroxy-2-methoxypropyl)sulfanyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 175797291
7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164904477
7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164542125
5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 166453206
CID 169267971
CID 169267971
2,4,8-trichloro-6-(trifluoromethyl)quinoline
CID 156808230
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
8-(trifluoromethyl)-1H-pyrimido[4,5-b]quinoline-2,4-dione
CID 133083550
7-chloro-4-isocyano-9-(trifluoromethyl)spiro[3,6-dihydro-1H-cyclopenta[c]carbazole-2,1'-cyclopentane]
CID 176762975
[2,6-dichloro-4-(trifluoromethyl)phenyl]-trimethylsilane
CID 11514753
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 88671034

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 156808240) is 8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2cc(C(F)(F)F)cc(Cl)c2[nH]1.
What is the InChIKey of 8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is HMQUAVIBAPYGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O2/c10-5-2-3(9(11,12)13)1-4-6(5)14-8(17)15-7(4)16/h1-2H,(H2,14,15,16,17).
What are the key properties of 8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 264.59 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 156808240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).