2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide

C22H23ClN2O3 — CID 137260037

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC(C)C1=CC(=O)NC2=C/C(=N/C(=O)C(C)(C)Oc3ccc(Cl)cc3)C=CC21
InChIInChI=1S/C22H23ClN2O3/c1-13(2)18-12-20(26)25-19-11-15(7-10-17(18)19)24-21(27)22(3,4)28-16-8-5-14(23)6-9-16/h5-13,17H,1-4H3,(H,25,26)/b24-15+
InChIKeyIIMOTEZIFSKMNN-BUVRLJJBSA-N
MW398.89 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137260037) 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-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137260037
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC(C)C1=CC(=O)NC2=C/C(=N/C(=O)C(C)(C)Oc3ccc(Cl)cc3)C=CC21
InChIInChI=1S/C22H23ClN2O3/c1-13(2)18-12-20(26)25-19-11-15(7-10-17(18)19)24-21(27)22(3,4)28-16-8-5-14(23)6-9-16/h5-13,17H,1-4H3,(H,25,26)/b24-15+
InChIKeyIIMOTEZIFSKMNN-BUVRLJJBSA-N
XLogP4.25
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-(3-oxo-2H-isoquinolin-6-yl)propanamide
CID 87609500
2-(4-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506877
2-(4-chlorophenoxy)-2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide
CID 78315234
2-(4-chlorophenoxy)-N-[2-(5,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide
CID 78316163
2-(4-chlorophenoxy)-N-[2-(5,8-dimethoxy-2-oxo-4aH-quinolin-3-yl)ethyl]acetamide
CID 78327900
2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide
CID 78329561
2-(4-chlorophenoxy)-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide
CID 78341416
2-(4-chlorophenoxy)-N-[2-(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide
CID 78341495
2-(4-chlorophenoxy)-N-[2-(5,8-dimethoxy-2-oxo-4aH-quinolin-3-yl)ethyl]-2-methylpropanamide
CID 78344901
2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]acetamide
CID 78375791
2-(4-chlorophenoxy)-N-[2-(5,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide
CID 78379193
2-(4-chlorophenoxy)-N-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-2-methylpropanamide
CID 78444091

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137260037) is 2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide is CC(C)C1=CC(=O)NC2=C/C(=N/C(=O)C(C)(C)Oc3ccc(Cl)cc3)C=CC21.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is IIMOTEZIFSKMNN-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-13(2)18-12-20(26)25-19-11-15(7-10-17(18)19)24-21(27)22(3,4)28-16-8-5-14(23)6-9-16/h5-13,17H,1-4H3,(H,25,26)/b24-15+.
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 398.89 g/mol, XLogP of 4.25, 4 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-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137260037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).