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

C20H19ClN2O3 — CID 137259225

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)(C)Oc3ccc(Cl)cc3)C=CC12
InChIInChI=1S/C20H19ClN2O3/c1-12-10-18(24)23-17-11-14(6-9-16(12)17)22-19(25)20(2,3)26-15-7-4-13(21)5-8-15/h4-11,16H,1-3H3,(H,23,24)/b22-14+
InChIKeyAGTDSWKVSVMJKH-HYARGMPZSA-N
MW370.84 g/mol
LogP3.61
Rot. Bonds3

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

2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259225) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259225
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)(C)Oc3ccc(Cl)cc3)C=CC12
InChIInChI=1S/C20H19ClN2O3/c1-12-10-18(24)23-17-11-14(6-9-16(12)17)22-19(25)20(2,3)26-15-7-4-13(21)5-8-15/h4-11,16H,1-3H3,(H,23,24)/b22-14+
InChIKeyAGTDSWKVSVMJKH-HYARGMPZSA-N
XLogP3.61
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.61
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)-2-methyl-N-(2-methyl-3a,7a-dihydro-1,3-benzoxazol-4-yl)propanamide
CID 90160304
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259225) is 2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is CC1=CC(=O)NC2=C/C(=N/C(=O)C(C)(C)Oc3ccc(Cl)cc3)C=CC12.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is AGTDSWKVSVMJKH-HYARGMPZSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-10-18(24)23-17-11-14(6-9-16(12)17)22-19(25)20(2,3)26-15-7-4-13(21)5-8-15/h4-11,16H,1-3H3,(H,23,24)/b22-14+.
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 370.84 g/mol, XLogP of 3.61, 3 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-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).