6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one

C20H21N3O4 — CID 95811057

IUPAC6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]c(C3CCN(C(=O)c4coc(C)n4)CC3)cc2c1
InChIInChI=1S/C20H21N3O4/c1-12-21-18(11-27-12)20(25)23-7-5-13(6-8-23)17-10-14-9-15(26-2)3-4-16(14)19(24)22-17/h3-4,9-11,13H,5-8H2,1-2H3,(H,22,24)
InChIKeyLNCJMOTXPUQIQA-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.85
Rot. Bonds3

About 6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one

6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one (PubChem CID 95811057) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one
PubChem CID95811057
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]c(C3CCN(C(=O)c4coc(C)n4)CC3)cc2c1
InChIInChI=1S/C20H21N3O4/c1-12-21-18(11-27-12)20(25)23-7-5-13(6-8-23)17-10-14-9-15(26-2)3-4-16(14)19(24)22-17/h3-4,9-11,13H,5-8H2,1-2H3,(H,22,24)
InChIKeyLNCJMOTXPUQIQA-UHFFFAOYSA-N
XLogP2.85
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-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

[4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95810807
[4-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95810808
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124944341
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95823462
[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95823457
(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088227
N-cyclohexyl-4-(5-methoxy-1H-indol-2-yl)piperidine-1-carboxamide
CID 113088262
[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110256743
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 91946497
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402904

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one?
The IUPAC name of 6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one (CID 95811057) is 6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one.
What is the SMILES notation for 6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one?
The canonical SMILES for 6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one is COc1ccc2c(=O)[nH]c(C3CCN(C(=O)c4coc(C)n4)CC3)cc2c1.
What is the InChIKey of 6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one?
The InChIKey is LNCJMOTXPUQIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12-21-18(11-27-12)20(25)23-7-5-13(6-8-23)17-10-14-9-15(26-2)3-4-16(14)19(24)22-17/h3-4,9-11,13H,5-8H2,1-2H3,(H,22,24).
What are the key properties of 6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one?
6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one has a molecular weight of 367.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one is sourced from PubChem (CID 95811057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).