2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide

C19H17ClN2O3 — CID 87609500

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c[nH]c(=O)cc2c1
InChIInChI=1S/C19H17ClN2O3/c1-19(2,25-16-7-4-14(20)5-8-16)18(24)22-15-6-3-12-11-21-17(23)10-13(12)9-15/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyIGKZVZUCNSIUSN-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide (PubChem CID 87609500) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide
PubChem CID87609500
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c[nH]c(=O)cc2c1
InChIInChI=1S/C19H17ClN2O3/c1-19(2,25-16-7-4-14(20)5-8-16)18(24)22-15-6-3-12-11-21-17(23)10-13(12)9-15/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyIGKZVZUCNSIUSN-UHFFFAOYSA-N
XLogP3.98
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide (CID 87609500) is 2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c[nH]c(=O)cc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide?
The InChIKey is IGKZVZUCNSIUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-19(2,25-16-7-4-14(20)5-8-16)18(24)22-15-6-3-12-11-21-17(23)10-13(12)9-15/h3-11H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide has a molecular weight of 356.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide is sourced from PubChem (CID 87609500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).