7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one

C16H19NO4 — CID 171342326

IUPAC7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one
SMILESCOc1c(CC=C(C)C)c(=O)[nH]c2c(OC)c(O)ccc12
InChIInChI=1S/C16H19NO4/c1-9(2)5-6-11-14(20-3)10-7-8-12(18)15(21-4)13(10)17-16(11)19/h5,7-8,18H,6H2,1-4H3,(H,17,19)
InChIKeyAZFKJXQYMUMVEP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.76
Rot. Bonds4

About 7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one

7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one (PubChem CID 171342326) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one
PubChem CID171342326
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one
SMILESCOc1c(CC=C(C)C)c(=O)[nH]c2c(OC)c(O)ccc12
InChIInChI=1S/C16H19NO4/c1-9(2)5-6-11-14(20-3)10-7-8-12(18)15(21-4)13(10)17-16(11)19/h5,7-8,18H,6H2,1-4H3,(H,17,19)
InChIKeyAZFKJXQYMUMVEP-UHFFFAOYSA-N
XLogP2.76
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
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 7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one?
The IUPAC name of 7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one (CID 171342326) is 7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one?
The canonical SMILES for 7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one is COc1c(CC=C(C)C)c(=O)[nH]c2c(OC)c(O)ccc12.
What is the InChIKey of 7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one?
The InChIKey is AZFKJXQYMUMVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-9(2)5-6-11-14(20-3)10-7-8-12(18)15(21-4)13(10)17-16(11)19/h5,7-8,18H,6H2,1-4H3,(H,17,19).
What are the key properties of 7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one?
7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one is sourced from PubChem (CID 171342326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).