3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one

C25H23NO4 — CID 139718000

IUPAC3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
SMILESCOc1c(OCc2ccccc2)c2ccc(OCc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C25H23NO4/c1-26-22-15-20(29-16-18-9-5-3-6-10-18)13-14-21(22)23(24(28-2)25(26)27)30-17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3
InChIKeyPQSXVAZSDJWTNL-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.71
Rot. Bonds7

About 3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one

3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one (PubChem CID 139718000) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one.

Molecular Properties

Compound Name3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
PubChem CID139718000
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
SMILESCOc1c(OCc2ccccc2)c2ccc(OCc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C25H23NO4/c1-26-22-15-20(29-16-18-9-5-3-6-10-18)13-14-21(22)23(24(28-2)25(26)27)30-17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3
InChIKeyPQSXVAZSDJWTNL-UHFFFAOYSA-N
XLogP4.71
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139717468
4-butoxy-1-methyl-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139717135
4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718194
1-methyl-3-octoxy-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718256
4-butoxy-3-hexoxy-1-methyl-7-phenylmethoxyquinolin-2-one
CID 139718009
4-butoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718339
4-butoxy-1-hexyl-3-methoxy-7-phenylmethoxyquinolin-2-one
CID 139717303
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
CID 139716931
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-4-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
CID 139717671
7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139718369
(7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate
CID 139717866

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one?
The IUPAC name of 3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one (CID 139718000) is 3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one.
What is the SMILES notation for 3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one?
The canonical SMILES for 3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one is COc1c(OCc2ccccc2)c2ccc(OCc3ccccc3)cc2n(C)c1=O.
What is the InChIKey of 3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one?
The InChIKey is PQSXVAZSDJWTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-26-22-15-20(29-16-18-9-5-3-6-10-18)13-14-21(22)23(24(28-2)25(26)27)30-17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3.
What are the key properties of 3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one?
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one has a molecular weight of 401.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one is sourced from PubChem (CID 139718000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).