ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate

C25H29N3O4 — CID 162649213

IUPACethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2OCC)CC1
InChIInChI=1S/C25H29N3O4/c1-4-31-21-11-7-6-10-20(21)27-13-15-28(16-14-27)24-18-9-8-12-22(30-3)23(18)26-17-19(24)25(29)32-5-2/h6-12,17H,4-5,13-16H2,1-3H3
InChIKeyXJPXJYQLDMITMD-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.15
Rot. Bonds7

About ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate

ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate (PubChem CID 162649213) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
PubChem CID162649213
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Nameethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2OCC)CC1
InChIInChI=1S/C25H29N3O4/c1-4-31-21-11-7-6-10-20(21)27-13-15-28(16-14-27)24-18-9-8-12-22(30-3)23(18)26-17-19(24)25(29)32-5-2/h6-12,17H,4-5,13-16H2,1-3H3
InChIKeyXJPXJYQLDMITMD-UHFFFAOYSA-N
XLogP4.15
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 8-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 162647102
ethyl 8-methoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 46498764
ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate
CID 162669788
ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate
CID 162661401
ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate
CID 75400034
8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732432
ethyl 4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylate
CID 1191908
ethyl 4-(4-benzylpiperazin-1-yl)-8-chloroquinoline-3-carboxylate
CID 43840467
ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
CID 162662540
ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 163201437
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate (CID 162649213) is ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2OCC)CC1.
What is the InChIKey of ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate?
The InChIKey is XJPXJYQLDMITMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-4-31-21-11-7-6-10-20(21)27-13-15-28(16-14-27)24-18-9-8-12-22(30-3)23(18)26-17-19(24)25(29)32-5-2/h6-12,17H,4-5,13-16H2,1-3H3.
What are the key properties of ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate?
ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate has a molecular weight of 435.52 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 162649213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).