7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione

C15H6ClF4IN2O2 — CID 164542125

IUPAC7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(C(F)(F)F)c(-c3ccc(F)c(Cl)c3)c(I)c2[nH]1
InChIInChI=1S/C15H6ClF4IN2O2/c16-8-3-5(1-2-9(8)17)10-7(15(18,19)20)4-6-12(11(10)21)22-14(25)23-13(6)24/h1-4H,(H2,22,23,24,25)
InChIKeyPBMHFGWCLNAYMK-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.30
Rot. Bonds1

About 7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione

7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 164542125) has the molecular formula C15H6ClF4IN2O2 and a molecular weight of 484.57 g/mol. Its IUPAC name is 7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID164542125
Molecular FormulaC15H6ClF4IN2O2
Molecular Weight484.57 g/mol
Exact Mass483.91
IUPAC Name7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(C(F)(F)F)c(-c3ccc(F)c(Cl)c3)c(I)c2[nH]1
InChIInChI=1S/C15H6ClF4IN2O2/c16-8-3-5(1-2-9(8)17)10-7(15(18,19)20)4-6-12(11(10)21)22-14(25)23-13(6)24/h1-4H,(H2,22,23,24,25)
InChIKeyPBMHFGWCLNAYMK-UHFFFAOYSA-N
XLogP4.30
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(5-fluoro-2-pyridinyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164541776
7-(3-chloro-4-fluorophenyl)-8-[(2R)-3-hydroxy-2-(methoxymethoxy)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164542099
7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164904477
(12R)-8-(3-chloro-4-fluorophenyl)-12-methoxy-7-(trifluoromethyl)-10-thia-1,3-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene-2,4-dione
CID 164541432
6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione
CID 164740101
(12S)-8-(3-chloro-4-fluorophenyl)-12-(methoxymethoxy)-7-(trifluoromethyl)-10-thia-1,3-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene-2,4-dione
CID 164541512
2-amino-4-(3-chloro-4-fluorophenyl)-3-methyl-5-(trifluoromethyl)benzoic acid;ethane
CID 164542218
7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione
CID 118010690
2-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)benzonitrile
CID 172915375
7-(4-fluorophenyl)-8-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164541921
CID 169267971
CID 169267971
3-[3-[[7-(4-fluorophenyl)-2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-8-yl]sulfanyl]-2-hydroxypropyl]azetidine-1-carboxylic acid
CID 156507181

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 164542125) is 7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2cc(C(F)(F)F)c(-c3ccc(F)c(Cl)c3)c(I)c2[nH]1.
What is the InChIKey of 7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is PBMHFGWCLNAYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF4IN2O2/c16-8-3-5(1-2-9(8)17)10-7(15(18,19)20)4-6-12(11(10)21)22-14(25)23-13(6)24/h1-4H,(H2,22,23,24,25).
What are the key properties of 7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 484.57 g/mol, XLogP of 4.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 164542125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).