N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide

C20H19ClN2O3 — CID 68874486

IUPACN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide
SMILESCC(C)OC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-12(2)26-18(13-6-4-3-5-7-13)20(25)23-17-10-14-8-9-22-19(24)15(14)11-16(17)21/h3-12,18H,1-2H3,(H,22,24)(H,23,25)
InChIKeyNCWXQEQIDGEPAD-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.29
Rot. Bonds5

About N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide

N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide (PubChem CID 68874486) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide
PubChem CID68874486
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide
SMILESCC(C)OC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-12(2)26-18(13-6-4-3-5-7-13)20(25)23-17-10-14-8-9-22-19(24)15(14)11-16(17)21/h3-12,18H,1-2H3,(H,22,24)(H,23,25)
InChIKeyNCWXQEQIDGEPAD-UHFFFAOYSA-N
XLogP4.29
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide?
The IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide (CID 68874486) is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide is CC(C)OC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1.
What is the InChIKey of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide?
The InChIKey is NCWXQEQIDGEPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12(2)26-18(13-6-4-3-5-7-13)20(25)23-17-10-14-8-9-22-19(24)15(14)11-16(17)21/h3-12,18H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide?
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide has a molecular weight of 370.84 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 68874486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).