2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one

C22H19N5O2 — CID 91618212

IUPAC2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
SMILESO=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cocn4)c3CCN12
InChIInChI=1S/C22H19N5O2/c28-22-9-23-21(26-10-18(24-12-26)14-4-5-14)8-20-17-3-1-2-16(19-11-29-13-25-19)15(17)6-7-27(20)22/h1-3,8,10-14H,4-7,9H2
InChIKeyHQFHZSUTMQDFLT-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.10
Rot. Bonds2

About 2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one

2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one (PubChem CID 91618212) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one.

Molecular Properties

Compound Name2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
PubChem CID91618212
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
SMILESO=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cocn4)c3CCN12
InChIInChI=1S/C22H19N5O2/c28-22-9-23-21(26-10-18(24-12-26)14-4-5-14)8-20-17-3-1-2-16(19-11-29-13-25-19)15(17)6-7-27(20)22/h1-3,8,10-14H,4-7,9H2
InChIKeyHQFHZSUTMQDFLT-UHFFFAOYSA-N
XLogP3.10
TPSA76.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
The IUPAC name of 2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one (CID 91618212) is 2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one.
What is the SMILES notation for 2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
The canonical SMILES for 2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one is O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cocn4)c3CCN12.
What is the InChIKey of 2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
The InChIKey is HQFHZSUTMQDFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-22-9-23-21(26-10-18(24-12-26)14-4-5-14)8-20-17-3-1-2-16(19-11-29-13-25-19)15(17)6-7-27(20)22/h1-3,8,10-14H,4-7,9H2.
What are the key properties of 2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one has a molecular weight of 385.43 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one is sourced from PubChem (CID 91618212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).