ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate

C25H27N3O5 — CID 70010272

IUPACethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(CC)cc(C#N)cc2c1NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H27N3O5/c1-6-17-8-15(12-26)9-18-22(17)28-14-19(25(29)33-7-2)23(18)27-13-16-10-20(30-3)24(32-5)21(11-16)31-4/h8-11,14H,6-7,13H2,1-5H3,(H,27,28)
InChIKeyFGGUGPGELHGVIH-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.48
Rot. Bonds9

About ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate

ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate (PubChem CID 70010272) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate
PubChem CID70010272
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Nameethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(CC)cc(C#N)cc2c1NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H27N3O5/c1-6-17-8-15(12-26)9-18-22(17)28-14-19(25(29)33-7-2)23(18)27-13-16-10-20(30-3)24(32-5)21(11-16)31-4/h8-11,14H,6-7,13H2,1-5H3,(H,27,28)
InChIKeyFGGUGPGELHGVIH-UHFFFAOYSA-N
XLogP4.48
TPSA102.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-cyclopropylquinoline-3-carboxylate
CID 46841873
4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-ethylquinoline-3-carboxylic acid
CID 22601621
ethyl 6-cyano-4-[[3-(iodomethyl)-4-methoxyphenyl]methylamino]quinoline-3-carboxylate
CID 89360155
ethyl 8-methoxy-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 54773049
ethyl 5-cyano-3-(hydroxymethyl)-2-methoxybenzoate
CID 134642801
ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 10247376
ethyl 5-cyano-2-ethyl-3-methoxybenzoate
CID 134614308
4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-8-ethylquinoline-6-carbonitrile
CID 10140799
ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 151694094
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 86692233
ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133456709

Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate (CID 70010272) is ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(CC)cc(C#N)cc2c1NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate?
The InChIKey is FGGUGPGELHGVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-6-17-8-15(12-26)9-18-22(17)28-14-19(25(29)33-7-2)23(18)27-13-16-10-20(30-3)24(32-5)21(11-16)31-4/h8-11,14H,6-7,13H2,1-5H3,(H,27,28).
What are the key properties of ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate?
ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate has a molecular weight of 449.51 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyano-8-ethyl-4-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-3-carboxylate is sourced from PubChem (CID 70010272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).