1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one

C20H19N3O — CID 59354944

IUPAC1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CN(c2nc(-c3ccccc3)cc3ccccc23)C1
InChIInChI=1S/C20H19N3O/c1-2-19(24)22-13-23(14-22)20-17-11-7-6-10-16(17)12-18(21-20)15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3
InChIKeyIHOMLILFJIDJCI-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.88
Rot. Bonds3

About 1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one

1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one (PubChem CID 59354944) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one
PubChem CID59354944
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CN(c2nc(-c3ccccc3)cc3ccccc23)C1
InChIInChI=1S/C20H19N3O/c1-2-19(24)22-13-23(14-22)20-17-11-7-6-10-16(17)12-18(21-20)15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3
InChIKeyIHOMLILFJIDJCI-UHFFFAOYSA-N
XLogP3.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-(3-chloroisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one
CID 59354947
N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butanamide
CID 22503016
N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]butanamide;hydrochloride
CID 22503347
[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate
CID 20720257
3-phenylisoquinoline-1-carboxylic acid
CID 13336383
3-phenyl-1-[(3-phenylisoquinolin-1-yl)methyl]isoquinoline
CID 170983853
N-ethyl-4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]isoquinolin-3-yl]benzenesulfonamide;oxalic acid
CID 22502833
1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol
CID 18325819
1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]piperidin-4-ol;trihydrochloride
CID 22502772
N-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridinyl]butanamide
CID 22503376
1-(3-phenylimidazolidin-1-yl)propan-1-one
CID 102279123
1-methyl-3-phenylisoquinoline
CID 10376139

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one (CID 59354944) is 1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one is CCC(=O)N1CN(c2nc(-c3ccccc3)cc3ccccc23)C1.
What is the InChIKey of 1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one?
The InChIKey is IHOMLILFJIDJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-19(24)22-13-23(14-22)20-17-11-7-6-10-16(17)12-18(21-20)15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3.
What are the key properties of 1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one?
1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one has a molecular weight of 317.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenylisoquinolin-1-yl)-1,3-diazetidin-1-yl]propan-1-one is sourced from PubChem (CID 59354944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).