morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone

C26H30N2O2 — CID 17238008

IUPACmorpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
SMILESCc1cc(C)c(C2Nc3ccc(C(=O)N4CCOCC4)cc3C3C=CCC32)c(C)c1
InChIInChI=1S/C26H30N2O2/c1-16-13-17(2)24(18(3)14-16)25-21-6-4-5-20(21)22-15-19(7-8-23(22)27-25)26(29)28-9-11-30-12-10-28/h4-5,7-8,13-15,20-21,25,27H,6,9-12H2,1-3H3
InChIKeyFFWWHSZBGPKIEM-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.91
Rot. Bonds2

About morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone

morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone (PubChem CID 17238008) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
PubChem CID17238008
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Namemorpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
SMILESCc1cc(C)c(C2Nc3ccc(C(=O)N4CCOCC4)cc3C3C=CCC32)c(C)c1
InChIInChI=1S/C26H30N2O2/c1-16-13-17(2)24(18(3)14-16)25-21-6-4-5-20(21)22-15-19(7-8-23(22)27-25)26(29)28-9-11-30-12-10-28/h4-5,7-8,13-15,20-21,25,27H,6,9-12H2,1-3H3
InChIKeyFFWWHSZBGPKIEM-UHFFFAOYSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.91
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

pyrrolidin-1-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17238011
[(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone
CID 7188062
1-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
CID 17237878
morpholin-4-yl-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17239156
[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone
CID 17242790
azepan-1-yl-[4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17242129
azepan-1-yl-[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17243896
[(3aR,4R,9bR)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-pyrrolidin-1-ylmethanone
CID 29114389
[(3aS,4S,9bR)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-pyrrolidin-1-ylmethanone
CID 124677893
[(3aS,4R,9bR)-4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-(azepan-1-yl)methanone
CID 7371246
[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 17236542
(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)-pyrrolidin-1-ylmethanone
CID 17240882

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone (CID 17238008) is morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone is Cc1cc(C)c(C2Nc3ccc(C(=O)N4CCOCC4)cc3C3C=CCC32)c(C)c1.
What is the InChIKey of morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone?
The InChIKey is FFWWHSZBGPKIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-16-13-17(2)24(18(3)14-16)25-21-6-4-5-20(21)22-15-19(7-8-23(22)27-25)26(29)28-9-11-30-12-10-28/h4-5,7-8,13-15,20-21,25,27H,6,9-12H2,1-3H3.
What are the key properties of morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone?
morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone has a molecular weight of 402.54 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone is sourced from PubChem (CID 17238008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).