2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide

C20H19ClN2O3 — CID 78341416

IUPAC2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide
SMILESCc1ccc2c(c1)=NC(=O)C(CCNC(=O)COc1ccc(Cl)cc1)C=2
InChIInChI=1S/C20H19ClN2O3/c1-13-2-3-14-11-15(20(25)23-18(14)10-13)8-9-22-19(24)12-26-17-6-4-16(21)5-7-17/h2-7,10-11,15H,8-9,12H2,1H3,(H,22,24)
InChIKeyNJHJVQOSZCJYNC-UHFFFAOYSA-N
MW370.84 g/mol
LogP1.79
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide (PubChem CID 78341416) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide
PubChem CID78341416
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide
SMILESCc1ccc2c(c1)=NC(=O)C(CCNC(=O)COc1ccc(Cl)cc1)C=2
InChIInChI=1S/C20H19ClN2O3/c1-13-2-3-14-11-15(20(25)23-18(14)10-13)8-9-22-19(24)12-26-17-6-4-16(21)5-7-17/h2-7,10-11,15H,8-9,12H2,1H3,(H,22,24)
InChIKeyNJHJVQOSZCJYNC-UHFFFAOYSA-N
XLogP1.79
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide (CID 78341416) is 2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide is Cc1ccc2c(c1)=NC(=O)C(CCNC(=O)COc1ccc(Cl)cc1)C=2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide?
The InChIKey is NJHJVQOSZCJYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13-2-3-14-11-15(20(25)23-18(14)10-13)8-9-22-19(24)12-26-17-6-4-16(21)5-7-17/h2-7,10-11,15H,8-9,12H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide has a molecular weight of 370.84 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 78341416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).