3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one

C17H21NO4 — CID 5316376

IUPAC3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one
SMILESC=C(C)C(O)Cc1c(OC)c2cccc(OC)c2n(C)c1=O
InChIInChI=1S/C17H21NO4/c1-10(2)13(19)9-12-16(22-5)11-7-6-8-14(21-4)15(11)18(3)17(12)20/h6-8,13,19H,1,9H2,2-5H3
InChIKeyBIJMYZRFCGRNCV-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.04
Rot. Bonds5

About 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one

3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one (PubChem CID 5316376) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one
PubChem CID5316376
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one
SMILESC=C(C)C(O)Cc1c(OC)c2cccc(OC)c2n(C)c1=O
InChIInChI=1S/C17H21NO4/c1-10(2)13(19)9-12-16(22-5)11-7-6-8-14(21-4)15(11)18(3)17(12)20/h6-8,13,19H,1,9H2,2-5H3
InChIKeyBIJMYZRFCGRNCV-UHFFFAOYSA-N
XLogP2.04
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one?
The IUPAC name of 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one (CID 5316376) is 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one?
The canonical SMILES for 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one is C=C(C)C(O)Cc1c(OC)c2cccc(OC)c2n(C)c1=O.
What is the InChIKey of 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one?
The InChIKey is BIJMYZRFCGRNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-10(2)13(19)9-12-16(22-5)11-7-6-8-14(21-4)15(11)18(3)17(12)20/h6-8,13,19H,1,9H2,2-5H3.
What are the key properties of 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one?
3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one has a molecular weight of 303.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one is sourced from PubChem (CID 5316376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).