methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate

C22H23ClN4O2 — CID 42891125

IUPACmethyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N1CCN(c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C22H23ClN4O2/c1-15-21(25-19-10-6-5-9-18(19)24-15)27-13-11-26(12-14-27)20(22(28)29-2)16-7-3-4-8-17(16)23/h3-10,20H,11-14H2,1-2H3
InChIKeyLZUHJHHEOUJINM-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.63
Rot. Bonds4

About methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate

methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate (PubChem CID 42891125) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate
PubChem CID42891125
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Namemethyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N1CCN(c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C22H23ClN4O2/c1-15-21(25-19-10-6-5-9-18(19)24-15)27-13-11-26(12-14-27)20(22(28)29-2)16-7-3-4-8-17(16)23/h3-10,20H,11-14H2,1-2H3
InChIKeyLZUHJHHEOUJINM-UHFFFAOYSA-N
XLogP3.63
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 33403930
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CID 55573977
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
methyl 2-(2-chlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetate
CID 24602989
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid
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methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)acetate;hydrochloride
CID 23000853
methyl 2-(2-chlorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetate
CID 43049793
methyl (2R)-2-[4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 51878850
methyl (2S)-2-[4-[(2S)-2-[(2-chlorobenzoyl)amino]propanoyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate (CID 42891125) is methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate is COC(=O)C(c1ccccc1Cl)N1CCN(c2nc3ccccc3nc2C)CC1.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate?
The InChIKey is LZUHJHHEOUJINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-15-21(25-19-10-6-5-9-18(19)24-15)27-13-11-26(12-14-27)20(22(28)29-2)16-7-3-4-8-17(16)23/h3-10,20H,11-14H2,1-2H3.
What are the key properties of methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate?
methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate has a molecular weight of 410.91 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 42891125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).