cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate

C22H27N5O2 — CID 662387

IUPACcyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate
SMILESCN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C22H27N5O2/c1-26-11-13-27(14-12-26)21-20(24-18-9-5-6-10-19(18)25-21)17(15-23)22(28)29-16-7-3-2-4-8-16/h5-6,9-10,16-17H,2-4,7-8,11-14H2,1H3
InChIKeyWMQLPZYEQUYZNX-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.86
Rot. Bonds4

About cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate

cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate (PubChem CID 662387) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate
PubChem CID662387
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Namecyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate
SMILESCN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C22H27N5O2/c1-26-11-13-27(14-12-26)21-20(24-18-9-5-6-10-19(18)25-21)17(15-23)22(28)29-16-7-3-2-4-8-16/h5-6,9-10,16-17H,2-4,7-8,11-14H2,1H3
InChIKeyWMQLPZYEQUYZNX-UHFFFAOYSA-N
XLogP2.86
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-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
1-[3-[1-Cyano-2-oxo-2-[(phenylmethyl)amino]ethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester
CID 660313
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
Prop-2-en-1-yl cyano{3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl}acetate
CID 660709
1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
CID 660751

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The IUPAC name of cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate (CID 662387) is cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate.
What is the SMILES notation for cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The canonical SMILES for cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate is CN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1.
What is the InChIKey of cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The InChIKey is WMQLPZYEQUYZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-26-11-13-27(14-12-26)21-20(24-18-9-5-6-10-19(18)25-21)17(15-23)22(28)29-16-7-3-2-4-8-16/h5-6,9-10,16-17H,2-4,7-8,11-14H2,1H3.
What are the key properties of cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate?
cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate has a molecular weight of 393.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate is sourced from PubChem (CID 662387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).