tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane

C26H39N3O5 — CID 143876016

IUPACtert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane
SMILESCCOC.COc1ccc2ncc(C=O)c(NCCC3CCN(C(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C23H31N3O4.C3H8O/c1-23(2,3)30-22(28)26-11-8-16(9-12-26)7-10-24-21-17(15-27)14-25-20-6-5-18(29-4)13-19(20)21;1-3-4-2/h5-6,13-16H,7-12H2,1-4H3,(H,24,25);3H2,1-2H3
InChIKeyNZCNDQJKVICEEC-UHFFFAOYSA-N
MW473.61 g/mol
LogP5.16
Rot. Bonds7

About tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane

tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane (PubChem CID 143876016) has the molecular formula C26H39N3O5 and a molecular weight of 473.61 g/mol. Its IUPAC name is tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane.

Molecular Properties

Compound Nametert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane
PubChem CID143876016
Molecular FormulaC26H39N3O5
Molecular Weight473.61 g/mol
Exact Mass473.29
IUPAC Nametert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane
SMILESCCOC.COc1ccc2ncc(C=O)c(NCCC3CCN(C(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C23H31N3O4.C3H8O/c1-23(2,3)30-22(28)26-11-8-16(9-12-26)7-10-24-21-17(15-27)14-25-20-6-5-18(29-4)13-19(20)21;1-3-4-2/h5-6,13-16H,7-12H2,1-4H3,(H,24,25);3H2,1-2H3
InChIKeyNZCNDQJKVICEEC-UHFFFAOYSA-N
XLogP5.16
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-[3-(4-chloro-6-methoxyquinolin-3-yl)propylamino]-2-oxoethyl]piperidine-1-carboxylate
CID 143875929
tert-butyl 4-[2-[(3-hydroxy-6-methoxyquinolin-4-yl)amino]ethyl]-3-(methylsulfonylcarbamoyl)piperidine-1-carboxylate
CID 70961020
tert-butyl (3R,4R)-3-ethenyl-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-1-carboxylate
CID 69345737
tert-butyl 3-[(6-methoxyquinolin-3-yl)-methylamino]pyrrolidine-1-carboxylate
CID 175300918
methyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]quinoline-4-carboxylate
CID 176864084
tert-butyl 6-[(3-chloro-6-methoxyquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 69470603
tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
CID 71635409
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
CID 51232746
tert-butyl 4-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 52544737
tert-butyl (3R,4R)-3-(2-hydroxyethyl)-4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-1-carboxylate
CID 69353248
tert-butyl (3R,4R)-3-formyl-4-[(3S)-3-hydroxy-3-(3-methoxyquinolin-5-yl)propyl]piperidine-1-carboxylate
CID 87498695
tert-butyl 4-[[1-(4-methoxyphenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113250404

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane?
The IUPAC name of tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane (CID 143876016) is tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane.
What is the SMILES notation for tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane?
The canonical SMILES for tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane is CCOC.COc1ccc2ncc(C=O)c(NCCC3CCN(C(=O)OC(C)(C)C)CC3)c2c1.
What is the InChIKey of tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane?
The InChIKey is NZCNDQJKVICEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4.C3H8O/c1-23(2,3)30-22(28)26-11-8-16(9-12-26)7-10-24-21-17(15-27)14-25-20-6-5-18(29-4)13-19(20)21;1-3-4-2/h5-6,13-16H,7-12H2,1-4H3,(H,24,25);3H2,1-2H3.
What are the key properties of tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane?
tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane has a molecular weight of 473.61 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane is sourced from PubChem (CID 143876016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).