1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide

C19H28N4O3 — CID 142428212

IUPAC1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide
SMILESCN(C)C(=O)C1CN(C(=O)NCC(O)CN2CCc3ccccc3C2)C1
InChIInChI=1S/C19H28N4O3/c1-21(2)18(25)16-11-23(12-16)19(26)20-9-17(24)13-22-8-7-14-5-3-4-6-15(14)10-22/h3-6,16-17,24H,7-13H2,1-2H3,(H,20,26)
InChIKeyRLISCFWFZGZMAA-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.14
Rot. Bonds5

About 1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide

1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide (PubChem CID 142428212) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide
PubChem CID142428212
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide
SMILESCN(C)C(=O)C1CN(C(=O)NCC(O)CN2CCc3ccccc3C2)C1
InChIInChI=1S/C19H28N4O3/c1-21(2)18(25)16-11-23(12-16)19(26)20-9-17(24)13-22-8-7-14-5-3-4-6-15(14)10-22/h3-6,16-17,24H,7-13H2,1-2H3,(H,20,26)
InChIKeyRLISCFWFZGZMAA-UHFFFAOYSA-N
XLogP0.14
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide 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 1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide (CID 142428212) is 1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide is CN(C)C(=O)C1CN(C(=O)NCC(O)CN2CCc3ccccc3C2)C1.
What is the InChIKey of 1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide?
The InChIKey is RLISCFWFZGZMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-21(2)18(25)16-11-23(12-16)19(26)20-9-17(24)13-22-8-7-14-5-3-4-6-15(14)10-22/h3-6,16-17,24H,7-13H2,1-2H3,(H,20,26).
What are the key properties of 1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide?
1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-N,3-N-dimethylazetidine-1,3-dicarboxamide is sourced from PubChem (CID 142428212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).