2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide

C21H21ClN2O3 — CID 78341495

IUPAC2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide
SMILESCc1cc2c(cc1C)=NC(=O)C(CCNC(=O)COc1ccc(Cl)cc1)C=2
InChIInChI=1S/C21H21ClN2O3/c1-13-9-16-11-15(21(26)24-19(16)10-14(13)2)7-8-23-20(25)12-27-18-5-3-17(22)4-6-18/h3-6,9-11,15H,7-8,12H2,1-2H3,(H,23,25)
InChIKeyBNLMZUAEABBTHL-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.10
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide (PubChem CID 78341495) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide
PubChem CID78341495
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide
SMILESCc1cc2c(cc1C)=NC(=O)C(CCNC(=O)COc1ccc(Cl)cc1)C=2
InChIInChI=1S/C21H21ClN2O3/c1-13-9-16-11-15(21(26)24-19(16)10-14(13)2)7-8-23-20(25)12-27-18-5-3-17(22)4-6-18/h3-6,9-11,15H,7-8,12H2,1-2H3,(H,23,25)
InChIKeyBNLMZUAEABBTHL-UHFFFAOYSA-N
XLogP2.10
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.10
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-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide (CID 78341495) is 2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide is Cc1cc2c(cc1C)=NC(=O)C(CCNC(=O)COc1ccc(Cl)cc1)C=2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide?
The InChIKey is BNLMZUAEABBTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-13-9-16-11-15(21(26)24-19(16)10-14(13)2)7-8-23-20(25)12-27-18-5-3-17(22)4-6-18/h3-6,9-11,15H,7-8,12H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide has a molecular weight of 384.86 g/mol, XLogP of 2.10, 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-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 78341495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).