6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]

C16H23NO — CID 10198760

IUPAC6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]
SMILESCCOc1ccc2c(c1)CCC1(CCCCC1)N2
InChIInChI=1S/C16H23NO/c1-2-18-14-6-7-15-13(12-14)8-11-16(17-15)9-4-3-5-10-16/h6-7,12,17H,2-5,8-11H2,1H3
InChIKeyIJZSSNQAEBWDLA-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.15
Rot. Bonds2

About 6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]

6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane] (PubChem CID 10198760) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane].

Molecular Properties

Compound Name6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]
PubChem CID10198760
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]
SMILESCCOc1ccc2c(c1)CCC1(CCCCC1)N2
InChIInChI=1S/C16H23NO/c1-2-18-14-6-7-15-13(12-14)8-11-16(17-15)9-4-3-5-10-16/h6-7,12,17H,2-5,8-11H2,1H3
InChIKeyIJZSSNQAEBWDLA-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane] with MolForge

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Related Compounds

Ethoxyquin
CID 3293
4-methoxy-2-methyl-N-phenylaniline
CID 162461
6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 86013
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
6-(2-methoxyphenyl)-2,2-dimethyl-4-{1-[(2E)-pent-2-en-1-yloxy]ethyl}-1,2-dihydroquinoline
CID 9999671
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10021634
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[2-methyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10068183
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10247253
4-{1-[(2E)-but-2-en-1-yloxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10316670
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)but-3-en-1-yl]-1,2-dihydroquinoline
CID 10362131
6-(2-Methoxyphenyl)-2,2-dimethyl-4-{1-[(3-methylbut-2-en-1-yl)oxy]ethyl}-1,2-dihydroquinoline
CID 10474749
5-Butyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 44341871

Frequently Asked Questions

What is the IUPAC name of 6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]?
The IUPAC name of 6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane] (CID 10198760) is 6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane].
What is the SMILES notation for 6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]?
The canonical SMILES for 6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane] is CCOc1ccc2c(c1)CCC1(CCCCC1)N2.
What is the InChIKey of 6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]?
The InChIKey is IJZSSNQAEBWDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-18-14-6-7-15-13(12-14)8-11-16(17-15)9-4-3-5-10-16/h6-7,12,17H,2-5,8-11H2,1H3.
What are the key properties of 6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]?
6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane] has a molecular weight of 245.37 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane] is sourced from PubChem (CID 10198760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).