11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride

C20H22ClNO2 — CID 175794277

IUPAC11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride
SMILESC=C(C)COc1cccc2c1-c1cc(O)cc3c1C(C2)NCC3.Cl
InChIInChI=1S/C20H21NO2.ClH/c1-12(2)11-23-18-5-3-4-13-9-17-19-14(6-7-21-17)8-15(22)10-16(19)20(13)18;/h3-5,8,10,17,21-22H,1,6-7,9,11H2,2H3;1H
InChIKeyBAXDGATXBUZJIB-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.18
Rot. Bonds3

About 11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride

11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride (PubChem CID 175794277) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride.

Molecular Properties

Compound Name11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride
PubChem CID175794277
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride
SMILESC=C(C)COc1cccc2c1-c1cc(O)cc3c1C(C2)NCC3.Cl
InChIInChI=1S/C20H21NO2.ClH/c1-12(2)11-23-18-5-3-4-13-9-17-19-14(6-7-21-17)8-15(22)10-16(19)20(13)18;/h3-5,8,10,17,21-22H,1,6-7,9,11H2,2H3;1H
InChIKeyBAXDGATXBUZJIB-UHFFFAOYSA-N
XLogP4.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride?
The IUPAC name of 11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride (CID 175794277) is 11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride.
What is the SMILES notation for 11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride?
The canonical SMILES for 11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride is C=C(C)COc1cccc2c1-c1cc(O)cc3c1C(C2)NCC3.Cl.
What is the InChIKey of 11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride?
The InChIKey is BAXDGATXBUZJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2.ClH/c1-12(2)11-23-18-5-3-4-13-9-17-19-14(6-7-21-17)8-15(22)10-16(19)20(13)18;/h3-5,8,10,17,21-22H,1,6-7,9,11H2,2H3;1H.
What are the key properties of 11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride?
11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride is sourced from PubChem (CID 175794277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).