CID 169267971

C11H8ClF3N2O3SSi — CID 169267971

IUPAC—
SMILESO=c1[nH]c(=O)c2cc(C(F)(F)F)c(Cl)c(SC[Si]CO)c2[nH]1
InChIInChI=1S/C11H8ClF3N2O3SSi/c12-6-5(11(13,14)15)1-4-7(8(6)21-3-22-2-18)16-10(20)17-9(4)19/h1,18H,2-3H2,(H2,16,17,19,20)
InChIKeyKPWCBGDWHFMGRK-UHFFFAOYSA-N
MW368.80 g/mol
LogP1.59
Rot. Bonds4

About CID 169267971

CID 169267971 (PubChem CID 169267971) has the molecular formula C11H8ClF3N2O3SSi and a molecular weight of 368.80 g/mol.

Molecular Properties

Compound NameCID 169267971
PubChem CID169267971
Molecular FormulaC11H8ClF3N2O3SSi
Molecular Weight368.80 g/mol
Exact Mass367.97
IUPAC Name—
SMILESO=c1[nH]c(=O)c2cc(C(F)(F)F)c(Cl)c(SC[Si]CO)c2[nH]1
InChIInChI=1S/C11H8ClF3N2O3SSi/c12-6-5(11(13,14)15)1-4-7(8(6)21-3-22-2-18)16-10(20)17-9(4)19/h1,18H,2-3H2,(H2,16,17,19,20)
InChIKeyKPWCBGDWHFMGRK-UHFFFAOYSA-N
XLogP1.59
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-8-[(2S)-3-hydroxy-2-(triazol-1-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 169267974
7-chloro-8-(3-hydroxy-2-pyrrolo[2,3-b]pyridin-1-ylpropyl)sulfanyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 170319879
7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164904477
7-chloro-8-[2-(2-oxo-1-pyridinyl)-3-phenylmethoxypropyl]sulfanyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 170319883
8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 156808240
7-(3-chloro-4-fluorophenyl)-8-[(2R)-3-hydroxy-2-(methoxymethoxy)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164542099
7-(4-fluorophenyl)-8-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164541921
7-(2,4-difluorophenyl)-8-[(2S)-3-hydroxy-2-(2-methoxyethoxy)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164541396
8-(3-hydroxy-2-methoxypropyl)sulfanyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 175797291
7-(3-chloro-4-fluorophenyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164542125
7-(5-fluoro-2-pyridinyl)-8-iodo-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164541776
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 CID 169267971?
The IUPAC name of CID 169267971 (CID 169267971) is not available.
What is the SMILES notation for CID 169267971?
The canonical SMILES for CID 169267971 is O=c1[nH]c(=O)c2cc(C(F)(F)F)c(Cl)c(SC[Si]CO)c2[nH]1.
What is the InChIKey of CID 169267971?
The InChIKey is KPWCBGDWHFMGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O3SSi/c12-6-5(11(13,14)15)1-4-7(8(6)21-3-22-2-18)16-10(20)17-9(4)19/h1,18H,2-3H2,(H2,16,17,19,20).
What are the key properties of CID 169267971?
CID 169267971 has a molecular weight of 368.80 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169267971 is sourced from PubChem (CID 169267971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).