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

C21H20N2O3 — CID 137260324

IUPACN-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCC1
InChIInChI=1S/C21H20N2O3/c1-13(26-15-6-3-2-4-7-15)20(24)22-14-10-11-17-16-8-5-9-18(16)21(25)23-19(17)12-14/h2-4,6-7,10-13,17H,5,8-9H2,1H3,(H,23,25)/b22-14+
InChIKeyXBOGWHSKVOQKIO-HYARGMPZSA-N
MW348.40 g/mol
LogP3.10
Rot. Bonds3

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

N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide (PubChem CID 137260324) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide
PubChem CID137260324
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCC1
InChIInChI=1S/C21H20N2O3/c1-13(26-15-6-3-2-4-7-15)20(24)22-14-10-11-17-16-8-5-9-18(16)21(25)23-19(17)12-14/h2-4,6-7,10-13,17H,5,8-9H2,1H3,(H,23,25)/b22-14+
InChIKeyXBOGWHSKVOQKIO-HYARGMPZSA-N
XLogP3.10
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide
CID 137259224
2-(4-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259228
2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259229
2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259231
2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259233
3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259257
2-(4-ethoxyphenoxy)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259422
2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259424
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide
CID 137259570
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(2-methoxyphenoxy)acetamide
CID 137259572
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide
CID 137259574
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide
CID 137259575

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide?
The IUPAC name of N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide (CID 137260324) is N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide.
What is the SMILES notation for N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide?
The canonical SMILES for N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCC1.
What is the InChIKey of N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide?
The InChIKey is XBOGWHSKVOQKIO-HYARGMPZSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-13(26-15-6-3-2-4-7-15)20(24)22-14-10-11-17-16-8-5-9-18(16)21(25)23-19(17)12-14/h2-4,6-7,10-13,17H,5,8-9H2,1H3,(H,23,25)/b22-14+.
What are the key properties of N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide?
N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide has a molecular weight of 348.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-2-phenoxypropanamide is sourced from PubChem (CID 137260324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).