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

C17H21NO3 — CID 15491437

IUPAC4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
SMILESCOc1c(CC=C(C)C)c(=O)n(C)c2c(OC)cccc12
InChIInChI=1S/C17H21NO3/c1-11(2)9-10-13-16(21-5)12-7-6-8-14(20-4)15(12)18(3)17(13)19/h6-9H,10H2,1-5H3
InChIKeySRNUIOCZZWKSIO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.06
Rot. Bonds4

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

4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one (PubChem CID 15491437) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one.

Molecular Properties

Compound Name4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
PubChem CID15491437
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
SMILESCOc1c(CC=C(C)C)c(=O)n(C)c2c(OC)cccc12
InChIInChI=1S/C17H21NO3/c1-11(2)9-10-13-16(21-5)12-7-6-8-14(20-4)15(12)18(3)17(13)19/h6-9H,10H2,1-5H3
InChIKeySRNUIOCZZWKSIO-UHFFFAOYSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
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 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The IUPAC name of 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one (CID 15491437) is 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one.
What is the SMILES notation for 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The canonical SMILES for 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one is COc1c(CC=C(C)C)c(=O)n(C)c2c(OC)cccc12.
What is the InChIKey of 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The InChIKey is SRNUIOCZZWKSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11(2)9-10-13-16(21-5)12-7-6-8-14(20-4)15(12)18(3)17(13)19/h6-9H,10H2,1-5H3.
What are the key properties of 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one has a molecular weight of 287.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one is sourced from PubChem (CID 15491437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).