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

C23H21NO — CID 2868072

IUPAC6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCOc1cccc2c1NC(c1cccc3ccccc13)C1CC=CC21
InChIInChI=1S/C23H21NO/c1-25-21-14-6-13-20-17-10-5-12-19(17)22(24-23(20)21)18-11-4-8-15-7-2-3-9-16(15)18/h2-11,13-14,17,19,22,24H,12H2,1H3
InChIKeySKKQABGIWDFDEH-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.67
Rot. Bonds2

About 6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 2868072) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID2868072
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCOc1cccc2c1NC(c1cccc3ccccc13)C1CC=CC21
InChIInChI=1S/C23H21NO/c1-25-21-14-6-13-20-17-10-5-12-19(17)22(24-23(20)21)18-11-4-8-15-7-2-3-9-16(15)18/h2-11,13-14,17,19,22,24H,12H2,1H3
InChIKeySKKQABGIWDFDEH-UHFFFAOYSA-N
XLogP5.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 2868072) is 6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is COc1cccc2c1NC(c1cccc3ccccc13)C1CC=CC21.
What is the InChIKey of 6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is SKKQABGIWDFDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-25-21-14-6-13-20-17-10-5-12-19(17)22(24-23(20)21)18-11-4-8-15-7-2-3-9-16(15)18/h2-11,13-14,17,19,22,24H,12H2,1H3.
What are the key properties of 6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 327.43 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 2868072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).