2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide

C23H25ClN2O3 — CID 78444091

IUPAC2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide
SMILESCc1ccc2c(c1C)=NC(=O)C(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)C=2
InChIInChI=1S/C23H25ClN2O3/c1-14-5-6-16-13-17(21(27)26-20(16)15(14)2)11-12-25-22(28)23(3,4)29-19-9-7-18(24)8-10-19/h5-10,13,17H,11-12H2,1-4H3,(H,25,28)
InChIKeyXKZVXBYCGDXDMU-UHFFFAOYSA-N
MW412.92 g/mol
LogP2.88
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide (PubChem CID 78444091) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide
PubChem CID78444091
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide
SMILESCc1ccc2c(c1C)=NC(=O)C(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)C=2
InChIInChI=1S/C23H25ClN2O3/c1-14-5-6-16-13-17(21(27)26-20(16)15(14)2)11-12-25-22(28)23(3,4)29-19-9-7-18(24)8-10-19/h5-10,13,17H,11-12H2,1-4H3,(H,25,28)
InChIKeyXKZVXBYCGDXDMU-UHFFFAOYSA-N
XLogP2.88
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 52.88
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-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide (CID 78444091) is 2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide is Cc1ccc2c(c1C)=NC(=O)C(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)C=2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide?
The InChIKey is XKZVXBYCGDXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-14-5-6-16-13-17(21(27)26-20(16)15(14)2)11-12-25-22(28)23(3,4)29-19-9-7-18(24)8-10-19/h5-10,13,17H,11-12H2,1-4H3,(H,25,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 412.92 g/mol, XLogP of 2.88, 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-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 78444091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).