8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C15H14FN3O3 — CID 615170

IUPAC8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCC(=O)c1ncn2c1C(O)N(C)C(=O)c1cc(F)ccc1-2
InChIInChI=1S/C15H14FN3O3/c1-3-11(20)12-13-15(22)18(2)14(21)9-6-8(16)4-5-10(9)19(13)7-17-12/h4-7,15,22H,3H2,1-2H3
InChIKeyTULQPYVAYUGDNU-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.68
Rot. Bonds2

About 8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 615170) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID615170
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCC(=O)c1ncn2c1C(O)N(C)C(=O)c1cc(F)ccc1-2
InChIInChI=1S/C15H14FN3O3/c1-3-11(20)12-13-15(22)18(2)14(21)9-6-8(16)4-5-10(9)19(13)7-17-12/h4-7,15,22H,3H2,1-2H3
InChIKeyTULQPYVAYUGDNU-UHFFFAOYSA-N
XLogP1.68
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 615170) is 8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CCC(=O)c1ncn2c1C(O)N(C)C(=O)c1cc(F)ccc1-2.
What is the InChIKey of 8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is TULQPYVAYUGDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-3-11(20)12-13-15(22)18(2)14(21)9-6-8(16)4-5-10(9)19(13)7-17-12/h4-7,15,22H,3H2,1-2H3.
What are the key properties of 8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 303.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-hydroxy-5-methyl-3-propanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 615170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).