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

C18H23NO4 — CID 5319501

IUPAC4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one
SMILESC=C(C)C(Cc1c(OC)c2cccc(OC)c2n(C)c1=O)OC
InChIInChI=1S/C18H23NO4/c1-11(2)15(22-5)10-13-17(23-6)12-8-7-9-14(21-4)16(12)19(3)18(13)20/h7-9,15H,1,10H2,2-6H3
InChIKeyUQPGYZLENAHHQZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.69
Rot. Bonds6

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

4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one (PubChem CID 5319501) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one
PubChem CID5319501
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one
SMILESC=C(C)C(Cc1c(OC)c2cccc(OC)c2n(C)c1=O)OC
InChIInChI=1S/C18H23NO4/c1-11(2)15(22-5)10-13-17(23-6)12-8-7-9-14(21-4)16(12)19(3)18(13)20/h7-9,15H,1,10H2,2-6H3
InChIKeyUQPGYZLENAHHQZ-UHFFFAOYSA-N
XLogP2.69
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.69
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

3-[(2S)-2-hydroperoxy-3-methylbut-3-enyl]-4,8-dimethoxy-1-methylquinolin-2-one
CID 162894428
3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
CID 117263418
1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine
CID 82495856
8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one
CID 171905297
1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone
CID 115042358
2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 67388041
3-(2-aminopropyl)-8-methoxy-1-methylquinolin-2-one
CID 84632285
(3-bromo-7-methoxy-1-methylindol-2-yl)methanol
CID 115050313
(3S,4R)-3,4-dihydroxy-7-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 5315424
3-(7-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495855
3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one
CID 4914636
7-methoxy-1,3-dimethylindole-2-carbaldehyde
CID 82491728

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one?
The IUPAC name of 4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one (CID 5319501) is 4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one.
What is the SMILES notation for 4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one?
The canonical SMILES for 4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one is C=C(C)C(Cc1c(OC)c2cccc(OC)c2n(C)c1=O)OC.
What is the InChIKey of 4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one?
The InChIKey is UQPGYZLENAHHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11(2)15(22-5)10-13-17(23-6)12-8-7-9-14(21-4)16(12)19(3)18(13)20/h7-9,15H,1,10H2,2-6H3.
What are the key properties of 4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one?
4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one has a molecular weight of 317.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one is sourced from PubChem (CID 5319501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).