6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid

C26H23NO7 — CID 118451648

IUPAC6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1ccc(COc2cc3[nH]cc(C(=O)O)c(=O)c3cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23NO7/c1-31-18-7-3-16(4-8-18)14-33-23-11-20-22(27-13-21(25(20)28)26(29)30)12-24(23)34-15-17-5-9-19(32-2)10-6-17/h3-13H,14-15H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyXVXKZUVVOMWECY-UHFFFAOYSA-N
MW461.47 g/mol
LogP4.40
Rot. Bonds9

About 6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid

6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 118451648) has the molecular formula C26H23NO7 and a molecular weight of 461.47 g/mol. Its IUPAC name is 6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID118451648
Molecular FormulaC26H23NO7
Molecular Weight461.47 g/mol
Exact Mass461.15
IUPAC Name6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1ccc(COc2cc3[nH]cc(C(=O)O)c(=O)c3cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23NO7/c1-31-18-7-3-16(4-8-18)14-33-23-11-20-22(27-13-21(25(20)28)26(29)30)12-24(23)34-15-17-5-9-19(32-2)10-6-17/h3-13H,14-15H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyXVXKZUVVOMWECY-UHFFFAOYSA-N
XLogP4.40
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid (CID 118451648) is 6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid is COc1ccc(COc2cc3[nH]cc(C(=O)O)c(=O)c3cc2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is XVXKZUVVOMWECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO7/c1-31-18-7-3-16(4-8-18)14-33-23-11-20-22(27-13-21(25(20)28)26(29)30)12-24(23)34-15-17-5-9-19(32-2)10-6-17/h3-13H,14-15H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid?
6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 461.47 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 118451648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).