4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C22H23FN2O2 — CID 17243881

IUPAC4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESCOCCNC(=O)c1cccc2c1NC(c1ccc(F)cc1)C1CC=CC21
InChIInChI=1S/C22H23FN2O2/c1-27-13-12-24-22(26)19-7-3-6-18-16-4-2-5-17(16)20(25-21(18)19)14-8-10-15(23)11-9-14/h2-4,6-11,16-17,20,25H,5,12-13H2,1H3,(H,24,26)
InChIKeyZZCPQMMYWULPSR-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.03
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17243881) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
PubChem CID17243881
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESCOCCNC(=O)c1cccc2c1NC(c1ccc(F)cc1)C1CC=CC21
InChIInChI=1S/C22H23FN2O2/c1-27-13-12-24-22(26)19-7-3-6-18-16-4-2-5-17(16)20(25-21(18)19)14-8-10-15(23)11-9-14/h2-4,6-11,16-17,20,25H,5,12-13H2,1H3,(H,24,26)
InChIKeyZZCPQMMYWULPSR-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
2-(Dimethoxymethyl)-3-(4-fluorophenyl)-1,2,3-trihydroquinazolin-4-one
CID 5018482
N-[2-(4-morpholinylcarbonyl)phenyl]-3-phenylpropanamide
CID 2206381
2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 2812678
2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812996
2-(2-Methoxyethylamino)-5-(4-propan-2-ylphenyl)benzamide
CID 141518946
(8-Ethyl-4-hydroxy-quinolin-3-yl)-morpholin-4-yl-methanone
CID 645886
6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 2872045
2-(Benzoylamino)-N~1~-[2-methyl-1-(morpholinocarbonyl)butyl]benzamide
CID 2929278
4-Hydroxy-8-methyl-quinoline-3-carboxylic acid (3-morpholin-4-yl-propyl)-amide
CID 3217711
2-[[(3S)-oxolan-3-yl]amino]-5-(4-propan-2-ylphenyl)benzamide
CID 145950771
2-[(1-Acetylpiperidin-4-yl)amino]-5-(4-propan-2-ylphenyl)benzamide
CID 145974317

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17243881) is 4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is COCCNC(=O)c1cccc2c1NC(c1ccc(F)cc1)C1CC=CC21.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The InChIKey is ZZCPQMMYWULPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-27-13-12-24-22(26)19-7-3-6-18-16-4-2-5-17(16)20(25-21(18)19)14-8-10-15(23)11-9-14/h2-4,6-11,16-17,20,25H,5,12-13H2,1H3,(H,24,26).
What are the key properties of 4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(2-methoxyethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17243881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).