1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate

C21H28N4O3 — CID 660397

IUPAC1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate
SMILESCCCN(CCC)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)COC
InChIInChI=1S/C21H28N4O3/c1-5-11-25(12-6-2)20-19(23-17-9-7-8-10-18(17)24-20)16(13-22)21(26)28-15(3)14-27-4/h7-10,15-16H,5-6,11-12,14H2,1-4H3
InChIKeyGFNAPRNKVNGSSL-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.44
Rot. Bonds10

About 1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate

1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate (PubChem CID 660397) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate
PubChem CID660397
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate
SMILESCCCN(CCC)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)COC
InChIInChI=1S/C21H28N4O3/c1-5-11-25(12-6-2)20-19(23-17-9-7-8-10-18(17)24-20)16(13-22)21(26)28-15(3)14-27-4/h7-10,15-16H,5-6,11-12,14H2,1-4H3
InChIKeyGFNAPRNKVNGSSL-UHFFFAOYSA-N
XLogP3.44
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
Cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 663281
2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide
CID 659480
2-Cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester
CID 660374
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
Ethyl 1-(3-(1-cyano-2-((1-methoxypropan-2-yl)oxy)-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate
CID 661450
Ethyl 1-(3-(1-cyano-2-(2-methoxyethoxy)-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate
CID 661608

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate?
The IUPAC name of 1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate (CID 660397) is 1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate.
What is the SMILES notation for 1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate?
The canonical SMILES for 1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate is CCCN(CCC)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)COC.
What is the InChIKey of 1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate?
The InChIKey is GFNAPRNKVNGSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-5-11-25(12-6-2)20-19(23-17-9-7-8-10-18(17)24-20)16(13-22)21(26)28-15(3)14-27-4/h7-10,15-16H,5-6,11-12,14H2,1-4H3.
What are the key properties of 1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate?
1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate has a molecular weight of 384.48 g/mol, XLogP of 3.44, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2-cyano-2-[3-(dipropylamino)quinoxalin-2-yl]acetate is sourced from PubChem (CID 660397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).