8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C23H27NO2 — CID 17241788

IUPAC8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCCOCCOc1ccc2c(c1)C1C=CCC1C(c1ccccc1C)N2
InChIInChI=1S/C23H27NO2/c1-3-25-13-14-26-17-11-12-22-21(15-17)19-9-6-10-20(19)23(24-22)18-8-5-4-7-16(18)2/h4-9,11-12,15,19-20,23-24H,3,10,13-14H2,1-2H3
InChIKeyBQKIKQAABOCDKY-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.24
Rot. Bonds6

About 8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17241788) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID17241788
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCCOCCOc1ccc2c(c1)C1C=CCC1C(c1ccccc1C)N2
InChIInChI=1S/C23H27NO2/c1-3-25-13-14-26-17-11-12-22-21(15-17)19-9-6-10-20(19)23(24-22)18-8-5-4-7-16(18)2/h4-9,11-12,15,19-20,23-24H,3,10,13-14H2,1-2H3
InChIKeyBQKIKQAABOCDKY-UHFFFAOYSA-N
XLogP5.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline with MolForge

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Related Compounds

4-(2-methylphenyl)-8-(2-phenoxyethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241778
4-(2,3-dichlorophenyl)-8-(2-ethoxyethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241343
4-(3,4-dimethoxyphenyl)-8-(2-ethoxyethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241945
4-(2-ethoxyphenyl)-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17242752
4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17239270
8-(2-methoxyethoxy)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17244281
4-naphthalen-1-yl-8-(2-phenoxyethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17239276
4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol
CID 17241669
8-hexoxy-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17244270
4-(2,3-dichlorophenyl)-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241327
4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
CID 17241688
8-heptoxy-4-(2-phenylmethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241180

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17241788) is 8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is CCOCCOc1ccc2c(c1)C1C=CCC1C(c1ccccc1C)N2.
What is the InChIKey of 8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is BQKIKQAABOCDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-3-25-13-14-26-17-11-12-22-21(15-17)19-9-6-10-20(19)23(24-22)18-8-5-4-7-16(18)2/h4-9,11-12,15,19-20,23-24H,3,10,13-14H2,1-2H3.
What are the key properties of 8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 349.47 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17241788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).