(7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate

C12H11NO5 — CID 139718225

IUPAC(7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
SMILESCOc1c(OC(C)=O)c(=O)[nH]c2cc(O)ccc12
InChIInChI=1S/C12H11NO5/c1-6(14)18-11-10(17-2)8-4-3-7(15)5-9(8)13-12(11)16/h3-5,15H,1-2H3,(H,13,16)
InChIKeyJVXJKUZFVLXYKS-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.17
Rot. Bonds2

About (7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate

(7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate (PubChem CID 139718225) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is (7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate.

Molecular Properties

Compound Name(7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
PubChem CID139718225
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name(7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
SMILESCOc1c(OC(C)=O)c(=O)[nH]c2cc(O)ccc12
InChIInChI=1S/C12H11NO5/c1-6(14)18-11-10(17-2)8-4-3-7(15)5-9(8)13-12(11)16/h3-5,15H,1-2H3,(H,13,16)
InChIKeyJVXJKUZFVLXYKS-UHFFFAOYSA-N
XLogP1.17
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate
CID 139716952
(7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
CID 139718077
(7-hydroxy-4-methoxy-2-oxochromen-3-yl) acetate
CID 19929885
[7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate
CID 174779588
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554
3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
CID 139716948
4-butoxy-7-hydroxy-3-octoxy-1H-quinolin-2-one
CID 139718292
1-(6-hydroxy-3-methyl-1H-indol-2-yl)ethanone
CID 82404714
3,6-dihydroxy-10H-acridin-9-one
CID 14086995
(4,7-dihydroxy-2-oxochromen-3-yl) acetate
CID 54735281
7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one
CID 70251836
[4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate
CID 23038333

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate?
The IUPAC name of (7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate (CID 139718225) is (7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate.
What is the SMILES notation for (7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate?
The canonical SMILES for (7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate is COc1c(OC(C)=O)c(=O)[nH]c2cc(O)ccc12.
What is the InChIKey of (7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate?
The InChIKey is JVXJKUZFVLXYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-6(14)18-11-10(17-2)8-4-3-7(15)5-9(8)13-12(11)16/h3-5,15H,1-2H3,(H,13,16).
What are the key properties of (7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate?
(7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate has a molecular weight of 249.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate is sourced from PubChem (CID 139718225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).