6-methoxyspiro[1H-quinoline-2,1'-cyclohexane]

C15H19NO — CID 10036794

IUPAC6-methoxyspiro[1H-quinoline-2,1'-cyclohexane]
SMILESCOc1ccc2c(c1)C=CC1(CCCCC1)N2
InChIInChI=1S/C15H19NO/c1-17-13-5-6-14-12(11-13)7-10-15(16-14)8-3-2-4-9-15/h5-7,10-11,16H,2-4,8-9H2,1H3
InChIKeyIPFFMYNNQBONIX-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.84
Rot. Bonds1

About 6-methoxyspiro[1H-quinoline-2,1'-cyclohexane]

6-methoxyspiro[1H-quinoline-2,1'-cyclohexane] (PubChem CID 10036794) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-methoxyspiro[1H-quinoline-2,1'-cyclohexane].

Molecular Properties

Compound Name6-methoxyspiro[1H-quinoline-2,1'-cyclohexane]
PubChem CID10036794
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name6-methoxyspiro[1H-quinoline-2,1'-cyclohexane]
SMILESCOc1ccc2c(c1)C=CC1(CCCCC1)N2
InChIInChI=1S/C15H19NO/c1-17-13-5-6-14-12(11-13)7-10-15(16-14)8-3-2-4-9-15/h5-7,10-11,16H,2-4,8-9H2,1H3
InChIKeyIPFFMYNNQBONIX-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[1H-quinoline-2,1'-cyclohexane]?
The IUPAC name of 6-methoxyspiro[1H-quinoline-2,1'-cyclohexane] (CID 10036794) is 6-methoxyspiro[1H-quinoline-2,1'-cyclohexane].
What is the SMILES notation for 6-methoxyspiro[1H-quinoline-2,1'-cyclohexane]?
The canonical SMILES for 6-methoxyspiro[1H-quinoline-2,1'-cyclohexane] is COc1ccc2c(c1)C=CC1(CCCCC1)N2.
What is the InChIKey of 6-methoxyspiro[1H-quinoline-2,1'-cyclohexane]?
The InChIKey is IPFFMYNNQBONIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-17-13-5-6-14-12(11-13)7-10-15(16-14)8-3-2-4-9-15/h5-7,10-11,16H,2-4,8-9H2,1H3.
What are the key properties of 6-methoxyspiro[1H-quinoline-2,1'-cyclohexane]?
6-methoxyspiro[1H-quinoline-2,1'-cyclohexane] has a molecular weight of 229.32 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[1H-quinoline-2,1'-cyclohexane] is sourced from PubChem (CID 10036794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).