4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C25H25NO — CID 17239270

IUPAC4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCCCOc1ccc2c(c1)C1C=CCC1C(c1cccc3ccccc13)N2
InChIInChI=1S/C25H25NO/c1-2-15-27-18-13-14-24-23(16-18)20-10-6-12-22(20)25(26-24)21-11-5-8-17-7-3-4-9-19(17)21/h3-11,13-14,16,20,22,25-26H,2,12,15H2,1H3
InChIKeyBIFAYMXBGXVOKW-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.46
Rot. Bonds4

About 4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17239270) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID17239270
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCCCOc1ccc2c(c1)C1C=CCC1C(c1cccc3ccccc13)N2
InChIInChI=1S/C25H25NO/c1-2-15-27-18-13-14-24-23(16-18)20-10-6-12-22(20)25(26-24)21-11-5-8-17-7-3-4-9-19(17)21/h3-11,13-14,16,20,22,25-26H,2,12,15H2,1H3
InChIKeyBIFAYMXBGXVOKW-UHFFFAOYSA-N
XLogP6.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-naphthalen-1-yl-8-(2-phenoxyethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17239276
4-(2-ethoxyphenyl)-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17242752
4-(2,3-dichlorophenyl)-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241327
(3aS,4R,9bR)-8-methyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 26095596
9-ethyl-3-(8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)carbazole
CID 17237125
(3aR,4R,9bR)-8-chloro-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7250520
8-hexoxy-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17244270
4-(2-methylphenyl)-8-(2-phenoxyethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241778
8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241788
ethyl 4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CID 2854323
1-[(3aR,4S,9bS)-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
CID 42560897
methyl (3aS,4S,9bR)-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CID 1110710

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17239270) is 4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is CCCOc1ccc2c(c1)C1C=CCC1C(c1cccc3ccccc13)N2.
What is the InChIKey of 4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is BIFAYMXBGXVOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-2-15-27-18-13-14-24-23(16-18)20-10-6-12-22(20)25(26-24)21-11-5-8-17-7-3-4-9-19(17)21/h3-11,13-14,16,20,22,25-26H,2,12,15H2,1H3.
What are the key properties of 4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 355.48 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-8-propoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17239270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).