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

C16H21NO — CID 10131043

IUPAC6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane]
SMILESCCOc1ccc2c(c1)C=CC1(CCCCC1)N2
InChIInChI=1S/C16H21NO/c1-2-18-14-6-7-15-13(12-14)8-11-16(17-15)9-4-3-5-10-16/h6-8,11-12,17H,2-5,9-10H2,1H3
InChIKeyMKWBZCHWGSOVOD-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.23
Rot. Bonds2

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

6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane] (PubChem CID 10131043) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane].

Molecular Properties

Compound Name6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane]
PubChem CID10131043
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane]
SMILESCCOc1ccc2c(c1)C=CC1(CCCCC1)N2
InChIInChI=1S/C16H21NO/c1-2-18-14-6-7-15-13(12-14)8-11-16(17-15)9-4-3-5-10-16/h6-8,11-12,17H,2-5,9-10H2,1H3
InChIKeyMKWBZCHWGSOVOD-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.23
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-ethoxyspiro[1H-quinoline-2,1'-cyclohexane]?
The IUPAC name of 6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane] (CID 10131043) is 6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane].
What is the SMILES notation for 6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane]?
The canonical SMILES for 6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane] is CCOc1ccc2c(c1)C=CC1(CCCCC1)N2.
What is the InChIKey of 6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane]?
The InChIKey is MKWBZCHWGSOVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-18-14-6-7-15-13(12-14)8-11-16(17-15)9-4-3-5-10-16/h6-8,11-12,17H,2-5,9-10H2,1H3.
What are the key properties of 6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane]?
6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane] has a molecular weight of 243.35 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxyspiro[1H-quinoline-2,1'-cyclohexane] is sourced from PubChem (CID 10131043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).