(4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one

C23H24N2O2 — CID 159004367

IUPAC(4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(OC2CN(c3nccc4ccccc34)C2)cc1
InChIInChI=1S/C23H24N2O2/c1-16(13-17(2)26)18-7-9-20(10-8-18)27-21-14-25(15-21)23-22-6-4-3-5-19(22)11-12-24-23/h3-12,16,21H,13-15H2,1-2H3/t16-/m1/s1
InChIKeyJRSRPJLSFTZEMN-MRXNPFEDSA-N
MW360.46 g/mol
LogP4.59
Rot. Bonds6

About (4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one

(4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one (PubChem CID 159004367) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one
PubChem CID159004367
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(OC2CN(c3nccc4ccccc34)C2)cc1
InChIInChI=1S/C23H24N2O2/c1-16(13-17(2)26)18-7-9-20(10-8-18)27-21-14-25(15-21)23-22-6-4-3-5-19(22)11-12-24-23/h3-12,16,21H,13-15H2,1-2H3/t16-/m1/s1
InChIKeyJRSRPJLSFTZEMN-MRXNPFEDSA-N
XLogP4.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-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

4-(4-(2-(Phenyl-2-pyridinylamino)ethoxy)phenyl)butyric acid
CID 25098573
3-Phenyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl)butanoic acid
CID 9908437
6-[(3R)-1-benzylpiperidin-3-yl]oxyisoquinolin-1-amine
CID 16222356
(S)-6-(1-benzylpiperidine-3-yloxy)isoquinolin-1-yl amine
CID 16222361
3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phenyl}-butyric acid
CID 44283738
(S)-3-Phenyl-4-[4-[3-(pyridin-2-yl)amino-1-propyloxy]phenyl]butanoic acid
CID 44283748
N-(7-Isopropoxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 68095389
N-(7-Benzyloxy-isoquinolin-1-yl)-guanidine
CID 44339283
N-cyclohexyl-2-(4-isopropylphenoxy)-N-2-pyridinylacetamide
CID 2941733
N-benzyl-2-[4-(propan-2-yl)phenoxy]-N-(pyridin-2-yl)acetamide
CID 4662288
3-(2-Carbamimidoylisoquinolin-2-ium-7-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoic acid chloride
CID 44391923
(E)-3-(dimethylamino)-1-(4-{2-[methyl(2-pyridinyl)amino]ethoxy}phenyl)-2-propen-1-one
CID 5815537

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one?
The IUPAC name of (4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one (CID 159004367) is (4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one?
The canonical SMILES for (4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one is CC(=O)C[C@@H](C)c1ccc(OC2CN(c3nccc4ccccc34)C2)cc1.
What is the InChIKey of (4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one?
The InChIKey is JRSRPJLSFTZEMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16(13-17(2)26)18-7-9-20(10-8-18)27-21-14-25(15-21)23-22-6-4-3-5-19(22)11-12-24-23/h3-12,16,21H,13-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one?
(4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one has a molecular weight of 360.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one is sourced from PubChem (CID 159004367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).