4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one

C26H33NO4 — CID 139718194

IUPAC4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
SMILESCCCCCCCCOc1c(OC)c2ccc(OCc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C26H33NO4/c1-4-5-6-7-8-12-17-30-25-24(29-3)22-16-15-21(18-23(22)27(2)26(25)28)31-19-20-13-10-9-11-14-20/h9-11,13-16,18H,4-8,12,17,19H2,1-3H3
InChIKeyAZWWAIDOAKIXBE-UHFFFAOYSA-N
MW423.55 g/mol
LogP5.87
Rot. Bonds12

About 4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one

4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one (PubChem CID 139718194) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
PubChem CID139718194
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
SMILESCCCCCCCCOc1c(OC)c2ccc(OCc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C26H33NO4/c1-4-5-6-7-8-12-17-30-25-24(29-3)22-16-15-21(18-23(22)27(2)26(25)28)31-19-20-13-10-9-11-14-20/h9-11,13-16,18H,4-8,12,17,19H2,1-3H3
InChIKeyAZWWAIDOAKIXBE-UHFFFAOYSA-N
XLogP5.87
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.87
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

4-butoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718339
4-butoxy-3-hexoxy-1-methyl-7-phenylmethoxyquinolin-2-one
CID 139718009
1-methyl-3-octoxy-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718256
4-butoxy-1-methyl-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139717135
7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one
CID 139718425
4-butoxy-1-hexyl-3-methoxy-7-phenylmethoxyquinolin-2-one
CID 139717303
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
4-hexoxy-1-hexyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718175
1-butyl-4-hexoxy-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139718064
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139717468

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one?
The IUPAC name of 4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one (CID 139718194) is 4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one is CCCCCCCCOc1c(OC)c2ccc(OCc3ccccc3)cc2n(C)c1=O.
What is the InChIKey of 4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one?
The InChIKey is AZWWAIDOAKIXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c1-4-5-6-7-8-12-17-30-25-24(29-3)22-16-15-21(18-23(22)27(2)26(25)28)31-19-20-13-10-9-11-14-20/h9-11,13-16,18H,4-8,12,17,19H2,1-3H3.
What are the key properties of 4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one?
4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one has a molecular weight of 423.55 g/mol, XLogP of 5.87, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one is sourced from PubChem (CID 139718194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).