1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one

C21H21NO5 — CID 24879147

IUPAC1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC)cc1Oc1ccnc2cc(OC)c(OC)cc12
InChIInChI=1S/C21H21NO5/c1-5-17(23)14-7-6-13(24-2)10-19(14)27-18-8-9-22-16-12-21(26-4)20(25-3)11-15(16)18/h6-12H,5H2,1-4H3
InChIKeyNMRMVGNQFLCGIL-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.65
Rot. Bonds7

About 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one

1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one (PubChem CID 24879147) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one
PubChem CID24879147
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC)cc1Oc1ccnc2cc(OC)c(OC)cc12
InChIInChI=1S/C21H21NO5/c1-5-17(23)14-7-6-13(24-2)10-19(14)27-18-8-9-22-16-12-21(26-4)20(25-3)11-15(16)18/h6-12H,5H2,1-4H3
InChIKeyNMRMVGNQFLCGIL-UHFFFAOYSA-N
XLogP4.65
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one?
The IUPAC name of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one (CID 24879147) is 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one.
What is the SMILES notation for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one?
The canonical SMILES for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one is CCC(=O)c1ccc(OC)cc1Oc1ccnc2cc(OC)c(OC)cc12.
What is the InChIKey of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one?
The InChIKey is NMRMVGNQFLCGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-5-17(23)14-7-6-13(24-2)10-19(14)27-18-8-9-22-16-12-21(26-4)20(25-3)11-15(16)18/h6-12H,5H2,1-4H3.
What are the key properties of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one?
1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one has a molecular weight of 367.40 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]propan-1-one is sourced from PubChem (CID 24879147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).