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

C18H23NO5 — CID 139718077

IUPAC(7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
SMILESCCCCCCOc1ccc2c(OC)c(OC(C)=O)c(=O)[nH]c2c1
InChIInChI=1S/C18H23NO5/c1-4-5-6-7-10-23-13-8-9-14-15(11-13)19-18(21)17(16(14)22-3)24-12(2)20/h8-9,11H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyHZCNIBOIXVMBQF-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.42
Rot. Bonds8

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

(7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate (PubChem CID 139718077) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is (7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate.

Molecular Properties

Compound Name(7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
PubChem CID139718077
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name(7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
SMILESCCCCCCOc1ccc2c(OC)c(OC(C)=O)c(=O)[nH]c2c1
InChIInChI=1S/C18H23NO5/c1-4-5-6-7-10-23-13-8-9-14-15(11-13)19-18(21)17(16(14)22-3)24-12(2)20/h8-9,11H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyHZCNIBOIXVMBQF-UHFFFAOYSA-N
XLogP3.42
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
CID 139717151
7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one
CID 139716963
(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate
CID 139716952
(7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
CID 139718225
3-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one
CID 139718255
7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one
CID 23301146
3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
CID 139716948
4-butoxy-7-hydroxy-3-octoxy-1H-quinolin-2-one
CID 139718292
4-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hexoxy-1H-quinolin-2-one
CID 139717318
4-butoxy-3-octoxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139718526
(3-ethyl-4-methyl-2-oxo-1H-quinolin-7-yl) acetate
CID 46907086
(6-decoxy-4-hydroxy-2-oxochromen-3-yl) acetate
CID 54690561

Frequently Asked Questions

What is the IUPAC name of (7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate?
The IUPAC name of (7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate (CID 139718077) is (7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate.
What is the SMILES notation for (7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate?
The canonical SMILES for (7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate is CCCCCCOc1ccc2c(OC)c(OC(C)=O)c(=O)[nH]c2c1.
What is the InChIKey of (7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate?
The InChIKey is HZCNIBOIXVMBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-4-5-6-7-10-23-13-8-9-14-15(11-13)19-18(21)17(16(14)22-3)24-12(2)20/h8-9,11H,4-7,10H2,1-3H3,(H,19,21).
What are the key properties of (7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate?
(7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate has a molecular weight of 333.38 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate is sourced from PubChem (CID 139718077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).