(7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate

C19H17NO5 — CID 139717866

IUPAC(7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate
SMILESCC(=O)Oc1c(OCc2ccccc2)c2ccc(O)cc2n(C)c1=O
InChIInChI=1S/C19H17NO5/c1-12(21)25-18-17(24-11-13-6-4-3-5-7-13)15-9-8-14(22)10-16(15)20(2)19(18)23/h3-10,22H,11H2,1-2H3
InChIKeyJQOTVMRJIICUGD-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.75
Rot. Bonds4

About (7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate

(7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate (PubChem CID 139717866) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate.

Molecular Properties

Compound Name(7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate
PubChem CID139717866
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate
SMILESCC(=O)Oc1c(OCc2ccccc2)c2ccc(O)cc2n(C)c1=O
InChIInChI=1S/C19H17NO5/c1-12(21)25-18-17(24-11-13-6-4-3-5-7-13)15-9-8-14(22)10-16(15)20(2)19(18)23/h3-10,22H,11H2,1-2H3
InChIKeyJQOTVMRJIICUGD-UHFFFAOYSA-N
XLogP2.75
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139718369
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
1-butyl-7-hydroxy-3,4-bis(phenylmethoxy)quinolin-2-one
CID 139717687
3-butoxy-7-hydroxy-1-octyl-4-phenylmethoxyquinolin-2-one
CID 139718046
(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate
CID 19776662
4-butoxy-1-methyl-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139717135
1-methyl-3-octoxy-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718256
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-4-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
CID 139717671
4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 139717001
4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
CID 139716931
4-butoxy-3-hexoxy-1-methyl-7-phenylmethoxyquinolin-2-one
CID 139718009
4-butoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718339

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate?
The IUPAC name of (7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate (CID 139717866) is (7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate.
What is the SMILES notation for (7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate?
The canonical SMILES for (7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate is CC(=O)Oc1c(OCc2ccccc2)c2ccc(O)cc2n(C)c1=O.
What is the InChIKey of (7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate?
The InChIKey is JQOTVMRJIICUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-12(21)25-18-17(24-11-13-6-4-3-5-7-13)15-9-8-14(22)10-16(15)20(2)19(18)23/h3-10,22H,11H2,1-2H3.
What are the key properties of (7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate?
(7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate has a molecular weight of 339.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate is sourced from PubChem (CID 139717866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).