[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone

C23H23FN2O2 — CID 17243833

IUPAC[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc2c1NC(c1ccc(F)cc1)C1CC=CC21)N1CCOCC1
InChIInChI=1S/C23H23FN2O2/c24-16-9-7-15(8-10-16)21-18-4-1-3-17(18)19-5-2-6-20(22(19)25-21)23(27)26-11-13-28-14-12-26/h1-3,5-10,17-18,21,25H,4,11-14H2
InChIKeyMBLXKOKQCZFAPZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.12
Rot. Bonds2

About [4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone

[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone (PubChem CID 17243833) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone
PubChem CID17243833
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc2c1NC(c1ccc(F)cc1)C1CC=CC21)N1CCOCC1
InChIInChI=1S/C23H23FN2O2/c24-16-9-7-15(8-10-16)21-18-4-1-3-17(18)19-5-2-6-20(22(19)25-21)23(27)26-11-13-28-14-12-26/h1-3,5-10,17-18,21,25H,4,11-14H2
InChIKeyMBLXKOKQCZFAPZ-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
1-(2-amino-4-fluorophenyl)-4-[(10R,15S)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl]butan-1-one
CID 44378003
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
3-(3-morpholinopropyl)-2-phenyl-2,3-dihydro-4(1H)-quinazolinone
CID 2813224
8-fluoro-N-(2-morpholinoethyl)-6-oxo-5,6-dihydrophenanthridine-3-carboxamide
CID 9864119
1-(2-amino-4-fluorophenyl)-4-[(10S,15R)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl]butan-1-one
CID 44378001
6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 2872045
4-Hydroxy-8-methyl-quinoline-3-carboxylic acid (3-morpholin-4-yl-propyl)-amide
CID 3217711
5-fluoro-N-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-2-morpholin-4-ylbenzamide
CID 168271300
2,4-difluoro-N-(2-{[(3-morpholinopropyl)amino]carbonyl}phenyl)benzamide
CID 2812995

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone (CID 17243833) is [4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone is O=C(c1cccc2c1NC(c1ccc(F)cc1)C1CC=CC21)N1CCOCC1.
What is the InChIKey of [4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is MBLXKOKQCZFAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-16-9-7-15(8-10-16)21-18-4-1-3-17(18)19-5-2-6-20(22(19)25-21)23(27)26-11-13-28-14-12-26/h1-3,5-10,17-18,21,25H,4,11-14H2.
What are the key properties of [4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone?
[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 378.45 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17243833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).