4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one

C18H13F2N3O2 — CID 145361724

IUPAC4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2cncc2n1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C18H13F2N3O2/c19-11-5-6-12(14(20)7-11)16(24)9-22-17-8-21-10-23(17)15-4-2-1-3-13(15)18(22)25/h1-8,10,16,24H,9H2
InChIKeyTVUGNXMZWOYCOJ-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.66
Rot. Bonds3

About 4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one

4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one (PubChem CID 145361724) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
PubChem CID145361724
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2cncc2n1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C18H13F2N3O2/c19-11-5-6-12(14(20)7-11)16(24)9-22-17-8-21-10-23(17)15-4-2-1-3-13(15)18(22)25/h1-8,10,16,24H,9H2
InChIKeyTVUGNXMZWOYCOJ-UHFFFAOYSA-N
XLogP2.66
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2,5-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361679
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 47053259
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one
CID 110026772
4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
CID 110884978
3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyrimidin-4-one
CID 167943855
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
CID 109400824
2-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one
CID 94386417
(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol
CID 94379783
4-[2-(4-methoxyphenyl)-2-oxoethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361629
3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 94385950
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751775

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one (CID 145361724) is 4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one is O=c1c2ccccc2n2cncc2n1CC(O)c1ccc(F)cc1F.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one?
The InChIKey is TVUGNXMZWOYCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c19-11-5-6-12(14(20)7-11)16(24)9-22-17-8-21-10-23(17)15-4-2-1-3-13(15)18(22)25/h1-8,10,16,24H,9H2.
What are the key properties of 4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one?
4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one has a molecular weight of 341.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 145361724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).