4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one

C18H23NO4 — CID 10313744

IUPAC4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
SMILESCOc1ccc2c(OC)c(CC=C(C)C)c(=O)n(C)c2c1OC
InChIInChI=1S/C18H23NO4/c1-11(2)7-8-13-16(22-5)12-9-10-14(21-4)17(23-6)15(12)19(3)18(13)20/h7,9-10H,8H2,1-6H3
InChIKeyRKOPYQDWUOSPQI-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.07
Rot. Bonds5

About 4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one

4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one (PubChem CID 10313744) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one.

Molecular Properties

Compound Name4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
PubChem CID10313744
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
SMILESCOc1ccc2c(OC)c(CC=C(C)C)c(=O)n(C)c2c1OC
InChIInChI=1S/C18H23NO4/c1-11(2)7-8-13-16(22-5)12-9-10-14(21-4)17(23-6)15(12)19(3)18(13)20/h7,9-10H,8H2,1-6H3
InChIKeyRKOPYQDWUOSPQI-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

6-Methoxy-9-methyl-(1,3)dioxolo(4,5-h)quinolin-8(9H)-one
CID 124075
5,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 1504717
5,6,8-Trimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 15306617
5,6,7,8-Tetramethoxy-1,4-dimethylquinolin-2-one
CID 42618035
6,7,8-Trimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 42618033
7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3-carboxylic Acid Phenethylamide
CID 11718456
7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide
CID 23555584
8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23555586
W5H9TE2Bny
CID 67528638
4,8-dimethoxy-N-methyl-2-quinolone
CID 10680379
6,9-Dimethyl[1,3]dioxolo[4,5-H]quinolin-8(9h)-One
CID 42618027
7,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 42618029

Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The IUPAC name of 4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one (CID 10313744) is 4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one.
What is the SMILES notation for 4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The canonical SMILES for 4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one is COc1ccc2c(OC)c(CC=C(C)C)c(=O)n(C)c2c1OC.
What is the InChIKey of 4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The InChIKey is RKOPYQDWUOSPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11(2)7-8-13-16(22-5)12-9-10-14(21-4)17(23-6)15(12)19(3)18(13)20/h7,9-10H,8H2,1-6H3.
What are the key properties of 4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
4,7,8-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 4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one is sourced from PubChem (CID 10313744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).