N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine

C20H21ClN8 — CID 20889126

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine
SMILESClc1cccc(N2CCN(CCNc3nc4ccccc4n4nnnc34)CC2)c1
InChIInChI=1S/C20H21ClN8/c21-15-4-3-5-16(14-15)28-12-10-27(11-13-28)9-8-22-19-20-24-25-26-29(20)18-7-2-1-6-17(18)23-19/h1-7,14H,8-13H2,(H,22,23)
InChIKeyBAEYZRBVLFHZHD-UHFFFAOYSA-N
MW408.90 g/mol
LogP2.56
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine (PubChem CID 20889126) has the molecular formula C20H21ClN8 and a molecular weight of 408.90 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine
PubChem CID20889126
Molecular FormulaC20H21ClN8
Molecular Weight408.90 g/mol
Exact Mass408.16
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine
SMILESClc1cccc(N2CCN(CCNc3nc4ccccc4n4nnnc34)CC2)c1
InChIInChI=1S/C20H21ClN8/c21-15-4-3-5-16(14-15)28-12-10-27(11-13-28)9-8-22-19-20-24-25-26-29(20)18-7-2-1-6-17(18)23-19/h1-7,14H,8-13H2,(H,22,23)
InChIKeyBAEYZRBVLFHZHD-UHFFFAOYSA-N
XLogP2.56
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-2-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
CID 22431505
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133383624
4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline
CID 20889100
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
CID 5209936
3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide
CID 73441847
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one
CID 139617099
4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726267
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324439
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
4-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanethioamide
CID 65247125
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 40673779
1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide
CID 18460636

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine (CID 20889126) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine is Clc1cccc(N2CCN(CCNc3nc4ccccc4n4nnnc34)CC2)c1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine?
The InChIKey is BAEYZRBVLFHZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN8/c21-15-4-3-5-16(14-15)28-12-10-27(11-13-28)9-8-22-19-20-24-25-26-29(20)18-7-2-1-6-17(18)23-19/h1-7,14H,8-13H2,(H,22,23).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine has a molecular weight of 408.90 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 20889126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).