ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate

C27H26N2O5 — CID 162645718

IUPACethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cc(OC)cc2c1-c1ccc(-c2ccccc2OCC)nc1
InChIInChI=1S/C27H26N2O5/c1-5-33-23-10-8-7-9-19(23)22-12-11-17(15-28-22)25-20-13-18(31-3)14-24(32-4)26(20)29-16-21(25)27(30)34-6-2/h7-16H,5-6H2,1-4H3
InChIKeyHAPOCLJQCMSMIQ-UHFFFAOYSA-N
MW458.51 g/mol
LogP5.56
Rot. Bonds8

About ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate

ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate (PubChem CID 162645718) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate
PubChem CID162645718
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Nameethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cc(OC)cc2c1-c1ccc(-c2ccccc2OCC)nc1
InChIInChI=1S/C27H26N2O5/c1-5-33-23-10-8-7-9-19(23)22-12-11-17(15-28-22)25-20-13-18(31-3)14-24(32-4)26(20)29-16-21(25)27(30)34-6-2/h7-16H,5-6H2,1-4H3
InChIKeyHAPOCLJQCMSMIQ-UHFFFAOYSA-N
XLogP5.56
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
CID 162662540
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
CID 162649213
ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
CID 132851457
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate
CID 71680298
ethyl 6,8-dimethoxy-1-(3-oxo-1H-isoindole-2-carbonyl)isoquinoline-4-carboxylate
CID 68613148
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
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 2-ethoxy-4-phenylbenzoate
CID 22494159
ethyl 8-methoxy-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 54773049

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate (CID 162645718) is ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cc(OC)cc2c1-c1ccc(-c2ccccc2OCC)nc1.
What is the InChIKey of ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate?
The InChIKey is HAPOCLJQCMSMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-5-33-23-10-8-7-9-19(23)22-12-11-17(15-28-22)25-20-13-18(31-3)14-24(32-4)26(20)29-16-21(25)27(30)34-6-2/h7-16H,5-6H2,1-4H3.
What are the key properties of ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate?
ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate has a molecular weight of 458.51 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-6,8-dimethoxyquinoline-3-carboxylate is sourced from PubChem (CID 162645718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).