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

C25H28N2O3 — CID 17242790

IUPAC[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccccc1C1Nc2ccc(C(=O)N3CCOCC3)cc2C2C=CCC21
InChIInChI=1S/C25H28N2O3/c1-2-30-23-9-4-3-6-20(23)24-19-8-5-7-18(19)21-16-17(10-11-22(21)26-24)25(28)27-12-14-29-15-13-27/h3-7,9-11,16,18-19,24,26H,2,8,12-15H2,1H3
InChIKeyYRBFXNVOFNCAQJ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.38
Rot. Bonds4

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

[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone (PubChem CID 17242790) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone
PubChem CID17242790
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccccc1C1Nc2ccc(C(=O)N3CCOCC3)cc2C2C=CCC21
InChIInChI=1S/C25H28N2O3/c1-2-30-23-9-4-3-6-20(23)24-19-8-5-7-18(19)21-16-17(10-11-22(21)26-24)25(28)27-12-14-29-15-13-27/h3-7,9-11,16,18-19,24,26H,2,8,12-15H2,1H3
InChIKeyYRBFXNVOFNCAQJ-UHFFFAOYSA-N
XLogP4.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[(3aR,4S,9bR)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone
CID 7188062
(4-methylpiperidin-1-yl)-[4-(2-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17241211
[4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-pyrrolidin-1-ylmethanone
CID 17242286
morpholin-4-yl-[4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17238008
morpholin-4-yl-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17239156
(3aR,4R,9bR)-4-(2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 7111385
4-(2-ethoxyphenyl)-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17242752
N-[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide
CID 17242789
(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)-pyrrolidin-1-ylmethanone
CID 17240882
N-methyl-N-phenyl-4-(2-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17241231
8-(2,3-dihydroindol-1-ylsulfonyl)-4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17242693
azepan-1-yl-[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]methanone
CID 17243896

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone (CID 17242790) is [4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone is CCOc1ccccc1C1Nc2ccc(C(=O)N3CCOCC3)cc2C2C=CCC21.
What is the InChIKey of [4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone?
The InChIKey is YRBFXNVOFNCAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-2-30-23-9-4-3-6-20(23)24-19-8-5-7-18(19)21-16-17(10-11-22(21)26-24)25(28)27-12-14-29-15-13-27/h3-7,9-11,16,18-19,24,26H,2,8,12-15H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone?
[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone has a molecular weight of 404.51 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17242790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).