propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate

C20H22N4O2 — CID 660884

IUPACpropan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate
SMILESC=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)C
InChIInChI=1S/C20H22N4O2/c1-5-11-24(12-6-2)19-18(15(13-21)20(25)26-14(3)4)22-16-9-7-8-10-17(16)23-19/h5-10,14-15H,1-2,11-12H2,3-4H3
InChIKeyRBNWEEZYMCANNK-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.37
Rot. Bonds8

About propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate

propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate (PubChem CID 660884) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate
PubChem CID660884
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Namepropan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate
SMILESC=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)C
InChIInChI=1S/C20H22N4O2/c1-5-11-24(12-6-2)19-18(15(13-21)20(25)26-14(3)4)22-16-9-7-8-10-17(16)23-19/h5-10,14-15H,1-2,11-12H2,3-4H3
InChIKeyRBNWEEZYMCANNK-UHFFFAOYSA-N
XLogP3.37
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-hexyl-2-[3-(morpholin-4-yl)quinoxalin-2-yl]acetamide
CID 659515
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
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-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate?
The IUPAC name of propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate (CID 660884) is propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate.
What is the SMILES notation for propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate?
The canonical SMILES for propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate is C=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate?
The InChIKey is RBNWEEZYMCANNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-5-11-24(12-6-2)19-18(15(13-21)20(25)26-14(3)4)22-16-9-7-8-10-17(16)23-19/h5-10,14-15H,1-2,11-12H2,3-4H3.
What are the key properties of propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate?
propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate has a molecular weight of 350.42 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate is sourced from PubChem (CID 660884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).