propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate

C18H20N4O2 — CID 660457

IUPACpropan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
SMILESCC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C18H20N4O2/c1-12(2)24-18(23)13(11-19)16-17(22-9-5-6-10-22)21-15-8-4-3-7-14(15)20-16/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3
InChIKeyYWUWMXFQJIZJLM-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.79
Rot. Bonds4

About propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate

propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate (PubChem CID 660457) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
PubChem CID660457
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Namepropan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
SMILESCC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C18H20N4O2/c1-12(2)24-18(23)13(11-19)16-17(22-9-5-6-10-22)21-15-8-4-3-7-14(15)20-16/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3
InChIKeyYWUWMXFQJIZJLM-UHFFFAOYSA-N
XLogP2.79
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-N-pentyl-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide
CID 659807
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 [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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate?
The IUPAC name of propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate (CID 660457) is propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate is CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate?
The InChIKey is YWUWMXFQJIZJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(2)24-18(23)13(11-19)16-17(22-9-5-6-10-22)21-15-8-4-3-7-14(15)20-16/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3.
What are the key properties of propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate?
propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate has a molecular weight of 324.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate is sourced from PubChem (CID 660457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).