8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid

C15H16FN3O4 — CID 70044546

IUPAC8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
SMILESCN1CC2=C(C(=O)O)N(CCO)CN2c2ccc(F)cc2C1=O
InChIInChI=1S/C15H16FN3O4/c1-17-7-12-13(15(22)23)18(4-5-20)8-19(12)11-3-2-9(16)6-10(11)14(17)21/h2-3,6,20H,4-5,7-8H2,1H3,(H,22,23)
InChIKeySDEVMLVZHFCPNU-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.28
Rot. Bonds3

About 8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid

8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid (PubChem CID 70044546) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is 8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
PubChem CID70044546
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
SMILESCN1CC2=C(C(=O)O)N(CCO)CN2c2ccc(F)cc2C1=O
InChIInChI=1S/C15H16FN3O4/c1-17-7-12-13(15(22)23)18(4-5-20)8-19(12)11-3-2-9(16)6-10(11)14(17)21/h2-3,6,20H,4-5,7-8H2,1H3,(H,22,23)
InChIKeySDEVMLVZHFCPNU-UHFFFAOYSA-N
XLogP0.28
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid with MolForge

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Related Compounds

5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
CID 14624170
1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 157240171
8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride
CID 142634879
8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 71521208
3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one
CID 19706968
2,3-dihydroxybutanedioic acid;ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 175431731
2-chloro-7-fluoro-4-methyl-3H-1,4-benzodiazepin-5-one
CID 10857165
3-ethynyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 19851546
ethyl 8-(2-fluoroethoxy)-5-methyl-6-oxo-2,4-dihydro-1H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 88958445
4-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 119994278
5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione
CID 115579387
2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
CID 10822899

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
The IUPAC name of 8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid (CID 70044546) is 8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
The canonical SMILES for 8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid is CN1CC2=C(C(=O)O)N(CCO)CN2c2ccc(F)cc2C1=O.
What is the InChIKey of 8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
The InChIKey is SDEVMLVZHFCPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4/c1-17-7-12-13(15(22)23)18(4-5-20)8-19(12)11-3-2-9(16)6-10(11)14(17)21/h2-3,6,20H,4-5,7-8H2,1H3,(H,22,23).
What are the key properties of 8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid has a molecular weight of 321.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(2-hydroxyethyl)-5-methyl-6-oxo-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid is sourced from PubChem (CID 70044546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).