1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol

C20H24N2O2 — CID 143875536

IUPAC1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol
SMILESC=C[C@@H]1CCCC[C@@H]1CN1CCOc2cnc3ccc(O)cc3c21
InChIInChI=1S/C20H24N2O2/c1-2-14-5-3-4-6-15(14)13-22-9-10-24-19-12-21-18-8-7-16(23)11-17(18)20(19)22/h2,7-8,11-12,14-15,23H,1,3-6,9-10,13H2/t14-,15-/m1/s1
InChIKeyIDGUZBPNTDHVEI-HUUCEWRRSA-N
MW324.42 g/mol
LogP4.13
Rot. Bonds3

About 1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol

1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol (PubChem CID 143875536) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol.

Molecular Properties

Compound Name1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol
PubChem CID143875536
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol
SMILESC=C[C@@H]1CCCC[C@@H]1CN1CCOc2cnc3ccc(O)cc3c21
InChIInChI=1S/C20H24N2O2/c1-2-14-5-3-4-6-15(14)13-22-9-10-24-19-12-21-18-8-7-16(23)11-17(18)20(19)22/h2,7-8,11-12,14-15,23H,1,3-6,9-10,13H2/t14-,15-/m1/s1
InChIKeyIDGUZBPNTDHVEI-HUUCEWRRSA-N
XLogP4.13
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol?
The IUPAC name of 1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol (CID 143875536) is 1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol.
What is the SMILES notation for 1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol?
The canonical SMILES for 1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol is C=C[C@@H]1CCCC[C@@H]1CN1CCOc2cnc3ccc(O)cc3c21.
What is the InChIKey of 1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol?
The InChIKey is IDGUZBPNTDHVEI-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-14-5-3-4-6-15(14)13-22-9-10-24-19-12-21-18-8-7-16(23)11-17(18)20(19)22/h2,7-8,11-12,14-15,23H,1,3-6,9-10,13H2/t14-,15-/m1/s1.
What are the key properties of 1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol?
1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol has a molecular weight of 324.42 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol is sourced from PubChem (CID 143875536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).