1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline

C23H31ClN4 — CID 170155382

IUPAC1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline
SMILESCC(CN1CCN(Cc2ccccc2Cl)c2ccccc21)N1CCN(C)CC1
InChIInChI=1S/C23H31ClN4/c1-19(26-13-11-25(2)12-14-26)17-27-15-16-28(23-10-6-5-9-22(23)27)18-20-7-3-4-8-21(20)24/h3-10,19H,11-18H2,1-2H3
InChIKeyZYAYCSAIGPVNTJ-UHFFFAOYSA-N
MW398.98 g/mol
LogP3.80
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline

1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline (PubChem CID 170155382) has the molecular formula C23H31ClN4 and a molecular weight of 398.98 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline
PubChem CID170155382
Molecular FormulaC23H31ClN4
Molecular Weight398.98 g/mol
Exact Mass398.22
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline
SMILESCC(CN1CCN(Cc2ccccc2Cl)c2ccccc21)N1CCN(C)CC1
InChIInChI=1S/C23H31ClN4/c1-19(26-13-11-25(2)12-14-26)17-27-15-16-28(23-10-6-5-9-22(23)27)18-20-7-3-4-8-21(20)24/h3-10,19H,11-18H2,1-2H3
InChIKeyZYAYCSAIGPVNTJ-UHFFFAOYSA-N
XLogP3.80
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.98
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline
CID 170157030
1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline
CID 170156297
10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine
CID 3024375
2-chloro-6-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol
CID 115958889
1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109
3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid
CID 43537419
(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97000579
4-chloro-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
CID 63778013
1-[4-(2-chlorophenyl)butan-2-yl]piperazine
CID 82044743
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432670
1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
CID 67966584

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline (CID 170155382) is 1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline is CC(CN1CCN(Cc2ccccc2Cl)c2ccccc21)N1CCN(C)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline?
The InChIKey is ZYAYCSAIGPVNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4/c1-19(26-13-11-25(2)12-14-26)17-27-15-16-28(23-10-6-5-9-22(23)27)18-20-7-3-4-8-21(20)24/h3-10,19H,11-18H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline?
1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline has a molecular weight of 398.98 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline is sourced from PubChem (CID 170155382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).