4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one

C18H23NO4 — CID 162932636

IUPAC4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
SMILESCOc1cc(OC)c2c(c1)c(OC)c(CC=C(C)C)c(=O)n2C
InChIInChI=1S/C18H23NO4/c1-11(2)7-8-13-17(23-6)14-9-12(21-4)10-15(22-5)16(14)19(3)18(13)20/h7,9-10H,8H2,1-6H3
InChIKeyZUOPRMMWFYVWBR-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.07
Rot. Bonds5

About 4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one

4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one (PubChem CID 162932636) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one.

Molecular Properties

Compound Name4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
PubChem CID162932636
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
SMILESCOc1cc(OC)c2c(c1)c(OC)c(CC=C(C)C)c(=O)n2C
InChIInChI=1S/C18H23NO4/c1-11(2)7-8-13-17(23-6)14-9-12(21-4)10-15(22-5)16(14)19(3)18(13)20/h7,9-10H,8H2,1-6H3
InChIKeyZUOPRMMWFYVWBR-UHFFFAOYSA-N
XLogP3.07
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-Methoxy-1,4-dimethyl-1h-quinolin-2-one
CID 5324988
5,6,8-Trimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 15306617
6,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 42618031
5,6,7,8-Tetramethoxy-1,4-dimethylquinolin-2-one
CID 42618035
6,7,8-Trimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 42618033
4,8-dimethoxy-N-methyl-2-quinolone
CID 10680379
2(1H)-Quinolinone, 6,8-dimethoxy-4-methyl-
CID 42618030
9-Methoxy-2,2,6-trimethyl-2,6-dihydro-pyrano[3,2-c]quinolin-5-one
CID 10016026
Orixalone A
CID 11278088
4,8-Dimethoxy-1-methyl-3-(3-methylbut-2-en-1-yl)quinolin-2(1H)-one
CID 15491437
Zanthobungeanine
CID 5315422
Glycosolone
CID 155059

Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The IUPAC name of 4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one (CID 162932636) is 4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one.
What is the SMILES notation for 4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The canonical SMILES for 4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one is COc1cc(OC)c2c(c1)c(OC)c(CC=C(C)C)c(=O)n2C.
What is the InChIKey of 4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The InChIKey is ZUOPRMMWFYVWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11(2)7-8-13-17(23-6)14-9-12(21-4)10-15(22-5)16(14)19(3)18(13)20/h7,9-10H,8H2,1-6H3.
What are the key properties of 4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one has a molecular weight of 317.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one is sourced from PubChem (CID 162932636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).