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

C22H23ClN2O3 — CID 78315234

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide
SMILESCc1ccc2c(c1)=NC(=O)C(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)C=2
InChIInChI=1S/C22H23ClN2O3/c1-14-4-5-15-13-16(20(26)25-19(15)12-14)10-11-24-21(27)22(2,3)28-18-8-6-17(23)7-9-18/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,27)
InChIKeyCZFGRIURZMHFGY-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.57
Rot. Bonds6

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

2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide (PubChem CID 78315234) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide
PubChem CID78315234
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide
SMILESCc1ccc2c(c1)=NC(=O)C(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)C=2
InChIInChI=1S/C22H23ClN2O3/c1-14-4-5-15-13-16(20(26)25-19(15)12-14)10-11-24-21(27)22(2,3)28-18-8-6-17(23)7-9-18/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,27)
InChIKeyCZFGRIURZMHFGY-UHFFFAOYSA-N
XLogP2.57
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide (CID 78315234) is 2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide is Cc1ccc2c(c1)=NC(=O)C(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)C=2.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide?
The InChIKey is CZFGRIURZMHFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-14-4-5-15-13-16(20(26)25-19(15)12-14)10-11-24-21(27)22(2,3)28-18-8-6-17(23)7-9-18/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,27).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide has a molecular weight of 398.89 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide is sourced from PubChem (CID 78315234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).