2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline

C19H20ClN5 — CID 133465607

IUPAC2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H20ClN5/c1-14-19(23-18-5-3-2-4-17(18)22-14)25-10-8-24(9-11-25)13-16-7-6-15(20)12-21-16/h2-7,12H,8-11,13H2,1H3
InChIKeyMNBXYUOJJDPGFO-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.31
Rot. Bonds3

About 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline

2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline (PubChem CID 133465607) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline
PubChem CID133465607
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H20ClN5/c1-14-19(23-18-5-3-2-4-17(18)22-14)25-10-8-24(9-11-25)13-16-7-6-15(20)12-21-16/h2-7,12H,8-11,13H2,1H3
InChIKeyMNBXYUOJJDPGFO-UHFFFAOYSA-N
XLogP3.31
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 75498823
4-[[4-(3-methylquinoxalin-2-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 133276196
5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine
CID 133465592
1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133465598
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804
1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine
CID 133465721
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole
CID 108776801
6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133465557
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
ethyl 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 133465683
6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 133468945

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline?
The IUPAC name of 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline (CID 133465607) is 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline.
What is the SMILES notation for 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline?
The canonical SMILES for 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline is Cc1nc2ccccc2nc1N1CCN(Cc2ccc(Cl)cn2)CC1.
What is the InChIKey of 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline?
The InChIKey is MNBXYUOJJDPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-14-19(23-18-5-3-2-4-17(18)22-14)25-10-8-24(9-11-25)13-16-7-6-15(20)12-21-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline?
2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline has a molecular weight of 353.86 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline is sourced from PubChem (CID 133465607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).