2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline

C23H22ClN5 — CID 108773344

IUPAC2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline
SMILESCc1cc(N2CCN(c3nc4ccccc4nc3Cl)CC2)nc2c(C)cccc12
InChIInChI=1S/C23H22ClN5/c1-15-6-5-7-17-16(2)14-20(27-21(15)17)28-10-12-29(13-11-28)23-22(24)25-18-8-3-4-9-19(18)26-23/h3-9,14H,10-13H2,1-2H3
InChIKeyHAZJVINNTWZXFU-UHFFFAOYSA-N
MW403.92 g/mol
LogP4.77
Rot. Bonds2

About 2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline

2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline (PubChem CID 108773344) has the molecular formula C23H22ClN5 and a molecular weight of 403.92 g/mol. Its IUPAC name is 2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline
PubChem CID108773344
Molecular FormulaC23H22ClN5
Molecular Weight403.92 g/mol
Exact Mass403.16
IUPAC Name2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline
SMILESCc1cc(N2CCN(c3nc4ccccc4nc3Cl)CC2)nc2c(C)cccc12
InChIInChI=1S/C23H22ClN5/c1-15-6-5-7-17-16(2)14-20(27-21(15)17)28-10-12-29(13-11-28)23-22(24)25-18-8-3-4-9-19(18)26-23/h3-9,14H,10-13H2,1-2H3
InChIKeyHAZJVINNTWZXFU-UHFFFAOYSA-N
XLogP4.77
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline
CID 108773340
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
4-(4,8-dimethylquinolin-2-yl)morpholine
CID 798855
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine
CID 108779379
(3,4-dichlorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754708
4,8-dimethyl-2-[4-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]quinoline
CID 108773316
2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166224
3-bromo-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108731281
5-[(3-chloroquinoxalin-2-yl)amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108779236
4-methyl-2-piperazin-1-ylquinoline
CID 598754
8-methoxy-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 23931520
4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline?
The IUPAC name of 2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline (CID 108773344) is 2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline is Cc1cc(N2CCN(c3nc4ccccc4nc3Cl)CC2)nc2c(C)cccc12.
What is the InChIKey of 2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline?
The InChIKey is HAZJVINNTWZXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5/c1-15-6-5-7-17-16(2)14-20(27-21(15)17)28-10-12-29(13-11-28)23-22(24)25-18-8-3-4-9-19(18)26-23/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline?
2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline has a molecular weight of 403.92 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline is sourced from PubChem (CID 108773344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).