3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one

C20H29NO4 — CID 139718425

IUPAC3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one
SMILESCCCCCCCCOc1ccc2c(OC)c(OC)c(=O)n(C)c2c1
InChIInChI=1S/C20H29NO4/c1-5-6-7-8-9-10-13-25-15-11-12-16-17(14-15)21(2)20(22)19(24-4)18(16)23-3/h11-12,14H,5-10,13H2,1-4H3
InChIKeyVLFNDHOVEMUUNM-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.30
Rot. Bonds10

About 3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one

3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one (PubChem CID 139718425) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one.

Molecular Properties

Compound Name3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one
PubChem CID139718425
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one
SMILESCCCCCCCCOc1ccc2c(OC)c(OC)c(=O)n(C)c2c1
InChIInChI=1S/C20H29NO4/c1-5-6-7-8-9-10-13-25-15-11-12-16-17(14-15)21(2)20(22)19(24-4)18(16)23-3/h11-12,14H,5-10,13H2,1-4H3
InChIKeyVLFNDHOVEMUUNM-UHFFFAOYSA-N
XLogP4.30
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718194
3,4,7-tributoxy-1-methylquinolin-2-one
CID 139717073
4-hexoxy-1-hexyl-3-methoxy-7-octoxyquinolin-2-one
CID 139716997
7-amino-4-hexoxy-3-methoxy-1-methylquinolin-2-one
CID 23300684
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one
CID 139716939
4-butoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718339
4-butoxy-3-hexoxy-1-methyl-7-phenylmethoxyquinolin-2-one
CID 139718009
4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one
CID 23300561
1-methyl-3-octoxy-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718256

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one?
The IUPAC name of 3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one (CID 139718425) is 3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one.
What is the SMILES notation for 3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one?
The canonical SMILES for 3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one is CCCCCCCCOc1ccc2c(OC)c(OC)c(=O)n(C)c2c1.
What is the InChIKey of 3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one?
The InChIKey is VLFNDHOVEMUUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-5-6-7-8-9-10-13-25-15-11-12-16-17(14-15)21(2)20(22)19(24-4)18(16)23-3/h11-12,14H,5-10,13H2,1-4H3.
What are the key properties of 3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one?
3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one has a molecular weight of 347.46 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one is sourced from PubChem (CID 139718425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).