2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide

C22H21ClN2O3 — CID 137260325

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCC1
InChIInChI=1S/C22H21ClN2O3/c1-22(2,28-15-9-6-13(23)7-10-15)21(27)24-14-8-11-17-16-4-3-5-18(16)20(26)25-19(17)12-14/h6-12,17H,3-5H2,1-2H3,(H,25,26)/b24-14+
InChIKeyNZJNCXCBAODEKX-ZVHZXABRSA-N
MW396.87 g/mol
LogP4.15
Rot. Bonds3

About 2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide (PubChem CID 137260325) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide
PubChem CID137260325
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCC1
InChIInChI=1S/C22H21ClN2O3/c1-22(2,28-15-9-6-13(23)7-10-15)21(27)24-14-8-11-17-16-4-3-5-18(16)20(26)25-19(17)12-14/h6-12,17H,3-5H2,1-2H3,(H,25,26)/b24-14+
InChIKeyNZJNCXCBAODEKX-ZVHZXABRSA-N
XLogP4.15
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259225
2-(4-chlorophenoxy)-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide
CID 137259571
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 137259775
2-(4-chlorophenoxy)-2-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137260037
N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide
CID 137260324
2-(2-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
CID 137260326
2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
CID 137260327
2-(4-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
CID 137260328
2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
CID 137260329
N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide
CID 137260536
2-(4-chlorophenoxy)-2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide
CID 137260537

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide (CID 137260325) is 2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide?
The InChIKey is NZJNCXCBAODEKX-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-22(2,28-15-9-6-13(23)7-10-15)21(27)24-14-8-11-17-16-4-3-5-18(16)20(26)25-19(17)12-14/h6-12,17H,3-5H2,1-2H3,(H,25,26)/b24-14+.
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide has a molecular weight of 396.87 g/mol, XLogP of 4.15, 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-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)propanamide is sourced from PubChem (CID 137260325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).