4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol

C15H19NO2 — CID 123559795

IUPAC4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol
SMILESCOC1=C(CC=C(C)C)C(O)Nc2ccccc21
InChIInChI=1S/C15H19NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8,15-17H,9H2,1-3H3
InChIKeyFVAZCHZRQXSDBL-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.14
Rot. Bonds3

About 4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol

4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol (PubChem CID 123559795) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol.

Molecular Properties

Compound Name4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol
PubChem CID123559795
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol
SMILESCOC1=C(CC=C(C)C)C(O)Nc2ccccc21
InChIInChI=1S/C15H19NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8,15-17H,9H2,1-3H3
InChIKeyFVAZCHZRQXSDBL-UHFFFAOYSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.14
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 4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol?
The IUPAC name of 4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol (CID 123559795) is 4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol.
What is the SMILES notation for 4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol?
The canonical SMILES for 4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol is COC1=C(CC=C(C)C)C(O)Nc2ccccc21.
What is the InChIKey of 4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol?
The InChIKey is FVAZCHZRQXSDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8,15-17H,9H2,1-3H3.
What are the key properties of 4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol?
4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol has a molecular weight of 245.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methylbut-2-enyl)-1,2-dihydroquinolin-2-ol is sourced from PubChem (CID 123559795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).