2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide

C21H21ClN2O3 — CID 137259571

IUPAC2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)C(C)(C)Oc3ccc(Cl)cc3)C=C2NC1=O
InChIInChI=1S/C21H21ClN2O3/c1-12-13(2)19(25)24-18-11-15(7-10-17(12)18)23-20(26)21(3,4)27-16-8-5-14(22)6-9-16/h5-11,17H,1-4H3,(H,24,25)/b23-15+
InChIKeyPMUUGCMNEBLJRF-HZHRSRAPSA-N
MW384.86 g/mol
LogP4.00
Rot. Bonds3

About 2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide (PubChem CID 137259571) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide
PubChem CID137259571
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)C(C)(C)Oc3ccc(Cl)cc3)C=C2NC1=O
InChIInChI=1S/C21H21ClN2O3/c1-12-13(2)19(25)24-18-11-15(7-10-17(12)18)23-20(26)21(3,4)27-16-8-5-14(22)6-9-16/h5-11,17H,1-4H3,(H,24,25)/b23-15+
InChIKeyPMUUGCMNEBLJRF-HZHRSRAPSA-N
XLogP4.00
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.00
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)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide (CID 137259571) is 2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide is CC1=C(C)C2C=C/C(=N\C(=O)C(C)(C)Oc3ccc(Cl)cc3)C=C2NC1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide?
The InChIKey is PMUUGCMNEBLJRF-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-12-13(2)19(25)24-18-11-15(7-10-17(12)18)23-20(26)21(3,4)27-16-8-5-14(22)6-9-16/h5-11,17H,1-4H3,(H,24,25)/b23-15+.
What are the key properties of 2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide has a molecular weight of 384.86 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide is sourced from PubChem (CID 137259571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).