[(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone

C23H24N2O2 — CID 7188062

IUPAC[(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2)N1CCOCC1
InChIInChI=1S/C23H24N2O2/c26-23(25-11-13-27-14-12-25)17-9-10-21-20(15-17)18-7-4-8-19(18)22(24-21)16-5-2-1-3-6-16/h1-7,9-10,15,18-19,22,24H,8,11-14H2/t18-,19-,22-/m1/s1
InChIKeyQYWQUZCAYKXECV-WOIUINJBSA-N
MW360.46 g/mol
LogP3.99
Rot. Bonds2

About [(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone

[(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone (PubChem CID 7188062) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone
PubChem CID7188062
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name[(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2)N1CCOCC1
InChIInChI=1S/C23H24N2O2/c26-23(25-11-13-27-14-12-25)17-9-10-21-20(15-17)18-7-4-8-19(18)22(24-21)16-5-2-1-3-6-16/h1-7,9-10,15,18-19,22,24H,8,11-14H2/t18-,19-,22-/m1/s1
InChIKeyQYWQUZCAYKXECV-WOIUINJBSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.99
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'}

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Related Compounds

morpholin-4-yl-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17239156
4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 2857906
morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17238008
[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone
CID 17242790
(3aR,4S,9bS)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CID 11885447
(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)-pyrrolidin-1-ylmethanone
CID 17240882
azepan-1-yl-[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17243896
[(3aS,4S,9bR)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-pyrrolidin-1-ylmethanone
CID 124677893
[(3aR,4R,9bR)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-pyrrolidin-1-ylmethanone
CID 29114389
[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 17236542
[(3aS,4R,9bR)-4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-(azepan-1-yl)methanone
CID 7371246
azepan-1-yl-[4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17242129

Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone (CID 7188062) is [(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone is O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2)N1CCOCC1.
What is the InChIKey of [(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone?
The InChIKey is QYWQUZCAYKXECV-WOIUINJBSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(25-11-13-27-14-12-25)17-9-10-21-20(15-17)18-7-4-8-19(18)22(24-21)16-5-2-1-3-6-16/h1-7,9-10,15,18-19,22,24H,8,11-14H2/t18-,19-,22-/m1/s1.
What are the key properties of [(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone?
[(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone has a molecular weight of 360.46 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 7188062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).