N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide

C23H21N3O3 — CID 164572074

IUPACN-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
SMILESCNC(=O)c1cccc(C(C)n2ccc3cc(-c4conc4C)ccc3c2=O)c1
InChIInChI=1S/C23H21N3O3/c1-14-21(13-29-25-14)17-7-8-20-18(12-17)9-10-26(23(20)28)15(2)16-5-4-6-19(11-16)22(27)24-3/h4-13,15H,1-3H3,(H,24,27)
InChIKeyWYOYNZDWTRHTCS-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.93
Rot. Bonds4

About N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide

N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide (PubChem CID 164572074) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
PubChem CID164572074
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
SMILESCNC(=O)c1cccc(C(C)n2ccc3cc(-c4conc4C)ccc3c2=O)c1
InChIInChI=1S/C23H21N3O3/c1-14-21(13-29-25-14)17-7-8-20-18(12-17)9-10-26(23(20)28)15(2)16-5-4-6-19(11-16)22(27)24-3/h4-13,15H,1-3H3,(H,24,27)
InChIKeyWYOYNZDWTRHTCS-UHFFFAOYSA-N
XLogP3.93
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide 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

N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
CID 164572319
N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide
CID 164572203
3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide
CID 167403913
3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide
CID 164572545
3-[(1R)-1-[7-(5-bromo-1H-pyrazol-4-yl)-4-oxoquinazolin-3-yl]ethyl]-N-(trideuteriomethyl)benzamide
CID 167403903
N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 47155570
4-(5-hydroxynaphthalen-2-yl)-N-methylbenzamide
CID 53324529
N-methyl-3-(2-propan-2-ylphenyl)benzamide
CID 142590167
N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide
CID 139996495
N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide
CID 155594052
3-[[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 34657550
butyl 5-(methylcarbamoyl)-1-[1-(3-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate
CID 126675242

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide?
The IUPAC name of N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide (CID 164572074) is N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide?
The canonical SMILES for N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide is CNC(=O)c1cccc(C(C)n2ccc3cc(-c4conc4C)ccc3c2=O)c1.
What is the InChIKey of N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide?
The InChIKey is WYOYNZDWTRHTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-21(13-29-25-14)17-7-8-20-18(12-17)9-10-26(23(20)28)15(2)16-5-4-6-19(11-16)22(27)24-3/h4-13,15H,1-3H3,(H,24,27).
What are the key properties of N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide?
N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 164572074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).