1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid

C28H27NO7 — CID 90373650

IUPAC1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(OCc3ccc(OC)cc3)c(OCc3ccc(OC)cc3)cc21
InChIInChI=1S/C28H27NO7/c1-4-29-15-23(28(31)32)27(30)22-13-25(35-16-18-5-9-20(33-2)10-6-18)26(14-24(22)29)36-17-19-7-11-21(34-3)12-8-19/h5-15H,4,16-17H2,1-3H3,(H,31,32)
InChIKeyBIIFINJTRNPOMO-UHFFFAOYSA-N
MW489.52 g/mol
LogP4.89
Rot. Bonds10

About 1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid

1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid (PubChem CID 90373650) has the molecular formula C28H27NO7 and a molecular weight of 489.52 g/mol. Its IUPAC name is 1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid
PubChem CID90373650
Molecular FormulaC28H27NO7
Molecular Weight489.52 g/mol
Exact Mass489.18
IUPAC Name1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(OCc3ccc(OC)cc3)c(OCc3ccc(OC)cc3)cc21
InChIInChI=1S/C28H27NO7/c1-4-29-15-23(28(31)32)27(30)22-13-25(35-16-18-5-9-20(33-2)10-6-18)26(14-24(22)29)36-17-19-7-11-21(34-3)12-8-19/h5-15H,4,16-17H2,1-3H3,(H,31,32)
InChIKeyBIIFINJTRNPOMO-UHFFFAOYSA-N
XLogP4.89
TPSA96.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

6-acetyloxy-7-ethoxy-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 12873148
5-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 118451632
6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
CID 118451648
ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate
CID 86732827
5-chloro-1-ethyl-3-(hydroxymethyl)-6,7-bis[(4-methoxyphenyl)methoxy]quinolin-4-one
CID 86732765
1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
CID 86732810
1-ethyl-7-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-4-oxoquinoline-3-carboxylic acid
CID 71660714
7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 15675271
6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane
CID 143833061
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
CID 20864617
7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 59617644
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid (CID 90373650) is 1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(OCc3ccc(OC)cc3)c(OCc3ccc(OC)cc3)cc21.
What is the InChIKey of 1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is BIIFINJTRNPOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO7/c1-4-29-15-23(28(31)32)27(30)22-13-25(35-16-18-5-9-20(33-2)10-6-18)26(14-24(22)29)36-17-19-7-11-21(34-3)12-8-19/h5-15H,4,16-17H2,1-3H3,(H,31,32).
What are the key properties of 1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid?
1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 489.52 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 90373650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).