ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate

C26H24N2O4 — CID 23769624

IUPACethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-3-31-26(29)22-16-27-25-21(10-7-11-23(25)30-2)24(22)28-19-12-14-20(15-13-19)32-17-18-8-5-4-6-9-18/h4-16H,3,17H2,1-2H3,(H,27,28)
InChIKeyCFDAEMQTSAFAFB-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.74
Rot. Bonds8

About ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate

ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate (PubChem CID 23769624) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
PubChem CID23769624
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Nameethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-3-31-26(29)22-16-27-25-21(10-7-11-23(25)30-2)24(22)28-19-12-14-20(15-13-19)32-17-18-8-5-4-6-9-18/h4-16H,3,17H2,1-2H3,(H,27,28)
InChIKeyCFDAEMQTSAFAFB-UHFFFAOYSA-N
XLogP5.74
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate
CID 13038487
ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
CID 20529010
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate (CID 23769624) is ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate?
The InChIKey is CFDAEMQTSAFAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-3-31-26(29)22-16-27-25-21(10-7-11-23(25)30-2)24(22)28-19-12-14-20(15-13-19)32-17-18-8-5-4-6-9-18/h4-16H,3,17H2,1-2H3,(H,27,28).
What are the key properties of ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate?
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate is sourced from PubChem (CID 23769624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).