ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate

C23H28N4O5 — CID 661450

IUPACethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)COC)CC1
InChIInChI=1S/C23H28N4O5/c1-4-31-22(28)16-9-11-27(12-10-16)21-20(25-18-7-5-6-8-19(18)26-21)17(13-24)23(29)32-15(2)14-30-3/h5-8,15-17H,4,9-12,14H2,1-3H3
InChIKeyMXMPJJPDNWXFMD-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.59
Rot. Bonds8

About ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate

ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate (PubChem CID 661450) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate
PubChem CID661450
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Nameethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)COC)CC1
InChIInChI=1S/C23H28N4O5/c1-4-31-22(28)16-9-11-27(12-10-16)21-20(25-18-7-5-6-8-19(18)26-21)17(13-24)23(29)32-15(2)14-30-3/h5-8,15-17H,4,9-12,14H2,1-3H3
InChIKeyMXMPJJPDNWXFMD-UHFFFAOYSA-N
XLogP2.59
TPSA114.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 663281
Cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 662387
2-Ethylbutyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 663230
2-cyano-N-hexyl-2-[3-(morpholin-4-yl)quinoxalin-2-yl]acetamide
CID 659515
Methyl 1-(3-(1-cyano-2-oxo-2-(phenethylamino)ethyl)quinoxalin-2-yl)piperidine-4-carboxylate
CID 659743
2-Cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester
CID 660374
1-Methoxypropan-2-yl cyano[3-(dipropylamino)quinoxalin-2-yl]acetate
CID 660397
Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
CID 660457
Propan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
CID 660522
Prop-2-enyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
CID 660535
1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
CID 660751
Isopropyl 2-cyano-2-(3-(diallylamino)quinoxalin-2-yl)acetate
CID 660884

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate (CID 661450) is ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)COC)CC1.
What is the InChIKey of ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate?
The InChIKey is MXMPJJPDNWXFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-4-31-22(28)16-9-11-27(12-10-16)21-20(25-18-7-5-6-8-19(18)26-21)17(13-24)23(29)32-15(2)14-30-3/h5-8,15-17H,4,9-12,14H2,1-3H3.
What are the key properties of ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate?
ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 661450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).