4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one

C22H23NO4 — CID 139716931

IUPAC4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
SMILESCC(C)=CCOc1c(O)c2ccc(OCc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C22H23NO4/c1-15(2)11-12-26-21-20(24)18-10-9-17(13-19(18)23(3)22(21)25)27-14-16-7-5-4-6-8-16/h4-11,13,24H,12,14H2,1-3H3
InChIKeyCFJXCVDYNDOWGX-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.17
Rot. Bonds6

About 4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one

4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one (PubChem CID 139716931) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
PubChem CID139716931
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
SMILESCC(C)=CCOc1c(O)c2ccc(OCc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C22H23NO4/c1-15(2)11-12-26-21-20(24)18-10-9-17(13-19(18)23(3)22(21)25)27-14-16-7-5-4-6-8-16/h4-11,13,24H,12,14H2,1-3H3
InChIKeyCFJXCVDYNDOWGX-UHFFFAOYSA-N
XLogP4.17
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-4-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
CID 139717671
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139717934
3-butoxy-1-butyl-4-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
CID 139718167
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717305
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
1-butyl-4-(3-methylbut-2-enoxy)-7-phenylmethoxy-3-prop-2-enoxyquinolin-2-one
CID 139718204
3-methoxy-4-(3-methylbut-2-enoxy)-1-octyl-7-phenylmethoxyquinolin-2-one
CID 139718331
3-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hydroxy-1-methylquinolin-2-one
CID 139717292
1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxy-7-phenylmethoxyquinolin-2-one
CID 139718552
7-butoxy-1-butyl-4-hydroxy-3-(3-methylbut-2-enoxy)quinolin-2-one
CID 139716929
1-hexyl-4-(3-methylbut-2-enoxy)-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139718437
4-butoxy-1-methyl-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139717135

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one (CID 139716931) is 4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one is CC(C)=CCOc1c(O)c2ccc(OCc3ccccc3)cc2n(C)c1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one?
The InChIKey is CFJXCVDYNDOWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-15(2)11-12-26-21-20(24)18-10-9-17(13-19(18)23(3)22(21)25)27-14-16-7-5-4-6-8-16/h4-11,13,24H,12,14H2,1-3H3.
What are the key properties of 4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one?
4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one has a molecular weight of 365.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one is sourced from PubChem (CID 139716931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).