ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate

C26H23NO4 — CID 162662540

IUPACethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C26H23NO4/c1-4-31-26(28)21-16-27-25-20(9-7-11-23(25)30-3)24(21)18-14-12-17(13-15-18)19-8-5-6-10-22(19)29-2/h5-16H,4H2,1-3H3
InChIKeySKFXFTFTNXXXBI-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.76
Rot. Bonds6

About ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate

ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate (PubChem CID 162662540) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
PubChem CID162662540
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Nameethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C26H23NO4/c1-4-31-26(28)21-16-27-25-20(9-7-11-23(25)30-3)24(21)18-14-12-17(13-15-18)19-8-5-6-10-22(19)29-2/h5-16H,4H2,1-3H3
InChIKeySKFXFTFTNXXXBI-UHFFFAOYSA-N
XLogP5.76
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate
CID 162645718
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate
CID 162669788
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
CID 162649213
ethyl 8-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 162647102
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
CID 20529010
ethyl 4-chloro-8-phenylquinoline-3-carboxylate
CID 18549723
ethyl 8-methoxy-4-prop-2-enylsulfanylquinoline-3-carboxylate
CID 66801705
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate (CID 162662540) is ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OC)cc1.
What is the InChIKey of ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate?
The InChIKey is SKFXFTFTNXXXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-4-31-26(28)21-16-27-25-20(9-7-11-23(25)30-3)24(21)18-14-12-17(13-15-18)19-8-5-6-10-22(19)29-2/h5-16H,4H2,1-3H3.
What are the key properties of ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate?
ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate has a molecular weight of 413.47 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate is sourced from PubChem (CID 162662540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).