4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide

C20H27N7O — CID 129265167

IUPAC4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide
SMILESCCN(CC)CCNC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1
InChIInChI=1S/C20H27N7O/c1-3-25(4-2)10-9-24-20(28)27-13-11-26(12-14-27)17-6-5-16(15-21)18-19(17)23-8-7-22-18/h5-8H,3-4,9-14H2,1-2H3,(H,24,28)
InChIKeyRFIWVCHULKULAU-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.67
Rot. Bonds6

About 4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide

4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide (PubChem CID 129265167) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide
PubChem CID129265167
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide
SMILESCCN(CC)CCNC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1
InChIInChI=1S/C20H27N7O/c1-3-25(4-2)10-9-24-20(28)27-13-11-26(12-14-27)17-6-5-16(15-21)18-19(17)23-8-7-22-18/h5-8H,3-4,9-14H2,1-2H3,(H,24,28)
InChIKeyRFIWVCHULKULAU-UHFFFAOYSA-N
XLogP1.67
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile
CID 158709555
4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide
CID 129240942
4-(2-cyano-4-nitrophenyl)-N-ethylpiperazine-1-carboxamide
CID 78818906
N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 137423816
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 137423766
4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763476
8-[(3R,4R)-3-[[1-hydroxy-2-(1-methylpiperidin-3-yl)ethyl]amino]-4-methylpyrrolidin-1-yl]quinoxaline-5-carbonitrile
CID 155297123
1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 129266493
ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
CID 153398932
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)prop-2-enamide
CID 156694852
N-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]ethyl]methanesulfonamide
CID 146329643

Frequently Asked Questions

What is the IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide (CID 129265167) is 4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide is CCN(CC)CCNC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1.
What is the InChIKey of 4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is RFIWVCHULKULAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-3-25(4-2)10-9-24-20(28)27-13-11-26(12-14-27)17-6-5-16(15-21)18-19(17)23-8-7-22-18/h5-8H,3-4,9-14H2,1-2H3,(H,24,28).
What are the key properties of 4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide?
4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 129265167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).