5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide

C20H19ClN2O3 — CID 59579446

IUPAC5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide
SMILESCOCCn1ccc2c(NC(=O)c3cc(Cl)ccc3C)cccc2c1=O
InChIInChI=1S/C20H19ClN2O3/c1-13-6-7-14(21)12-17(13)19(24)22-18-5-3-4-16-15(18)8-9-23(20(16)25)10-11-26-2/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyQTJRCWPFBVTNBQ-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.86
Rot. Bonds5

About 5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide

5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide (PubChem CID 59579446) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide
PubChem CID59579446
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide
SMILESCOCCn1ccc2c(NC(=O)c3cc(Cl)ccc3C)cccc2c1=O
InChIInChI=1S/C20H19ClN2O3/c1-13-6-7-14(21)12-17(13)19(24)22-18-5-3-4-16-15(18)8-9-23(20(16)25)10-11-26-2/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyQTJRCWPFBVTNBQ-UHFFFAOYSA-N
XLogP3.86
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 59579428
4-chloro-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide
CID 52914584
N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 59579483
2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 59579552
2,4-dichloro-N-[2-[(1-methylpiperidin-4-yl)methyl]-1-oxoisoquinolin-5-yl]benzamide
CID 59579300
2-chloro-N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-3-methylbenzamide
CID 59515904
N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide
CID 59579676
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2,3-dimethylbenzamide
CID 59515866
6-(2-methoxyethyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339967
2,4-dimethyl-N-[1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]isoquinolin-5-yl]benzamide
CID 59579376
N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 59579731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide (CID 59579446) is 5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide is COCCn1ccc2c(NC(=O)c3cc(Cl)ccc3C)cccc2c1=O.
What is the InChIKey of 5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide?
The InChIKey is QTJRCWPFBVTNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13-6-7-14(21)12-17(13)19(24)22-18-5-3-4-16-15(18)8-9-23(20(16)25)10-11-26-2/h3-9,12H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide?
5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide has a molecular weight of 370.84 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide is sourced from PubChem (CID 59579446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).