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

C26H24N2O4 — CID 162644787

IUPACethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OCC)nc1
InChIInChI=1S/C26H24N2O4/c1-4-31-22-11-7-6-9-18(22)21-14-13-17(15-27-21)24-19-10-8-12-23(30-3)25(19)28-16-20(24)26(29)32-5-2/h6-16H,4-5H2,1-3H3
InChIKeyGZWOHDDCPMXISP-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.55
Rot. Bonds7

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

ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate (PubChem CID 162644787) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate
PubChem CID162644787
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Nameethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OCC)nc1
InChIInChI=1S/C26H24N2O4/c1-4-31-22-11-7-6-9-18(22)21-14-13-17(15-27-21)24-19-10-8-12-23(30-3)25(19)28-16-20(24)26(29)32-5-2/h6-16H,4-5H2,1-3H3
InChIKeyGZWOHDDCPMXISP-UHFFFAOYSA-N
XLogP5.55
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Benzoxiquine
CID 6855
1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
CID 3081087
5-fluoro-PB-22
CID 72710774
FUB-PB-22 compound
CID 91936864
2-[4-(4-Pyridin-4-yl-isoxazol-5-yl)-phenoxymethyl]-quinoline
CID 11653755
Ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 709114
Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
CID 16010859
Ethyl 4-amino-6-methoxyquinoline-3-carboxylate
CID 16644472
Methyl 2-(4-((8-(3-methoxyphenyl)quinolin-6-yl)methoxy)phenyl)acetate
CID 49866268
3-Pyridinecarboxylic acid (5-chloro-8-quinolinyl) ester
CID 746299

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate (CID 162644787) is ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OCC)nc1.
What is the InChIKey of ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate?
The InChIKey is GZWOHDDCPMXISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-4-31-22-11-7-6-9-18(22)21-14-13-17(15-27-21)24-19-10-8-12-23(30-3)25(19)28-16-20(24)26(29)32-5-2/h6-16H,4-5H2,1-3H3.
What are the key properties of ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate?
ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 162644787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).