2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline

C27H27N3O — CID 118726432

IUPAC2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C27H27N3O/c1-3-9-21(10-4-1)26-27(29-25-12-6-5-11-24(25)28-26)22-13-15-23(16-14-22)31-20-19-30-17-7-2-8-18-30/h1,3-6,9-16H,2,7-8,17-20H2
InChIKeyIZHJBMDCXJQPII-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.83
Rot. Bonds6

About 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline

2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline (PubChem CID 118726432) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline
PubChem CID118726432
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C27H27N3O/c1-3-9-21(10-4-1)26-27(29-25-12-6-5-11-24(25)28-26)22-13-15-23(16-14-22)31-20-19-30-17-7-2-8-18-30/h1,3-6,9-16H,2,7-8,17-20H2
InChIKeyIZHJBMDCXJQPII-UHFFFAOYSA-N
XLogP5.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methoxy-phenyl)-3-phenyl-quinoxaline
CID 687304
2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
Quinoxaline, 2,3-bis(2-methoxyphenyl)-
CID 774402
2-Methyl-5-[2-[4-[[3-(1-methylpiperidin-4-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 9957376
2-Methyl-5-[2-[4-[(3-piperidin-1-ylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
CID 10127424
2-Methyl-5-[2-[4-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 10127877
2-Methyl-5-[2-[4-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 10195275
N-(4-(3-(piperidin-1-yl)propoxy)phenethyl)-5,6,7,8-tetrahydroacridin-9-amine
CID 11004759
CL-246738 free base
CID 133712
2-(4-Ethoxyphenyl)quinoxaline
CID 765189
Quinoxaline, 2,3-bis(4-methoxyphenyl)-6-methyl-
CID 215802
2,3-Bis(p-methoxystyryl)quinoxaline
CID 5473489

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline?
The IUPAC name of 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline (CID 118726432) is 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline.
What is the SMILES notation for 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline?
The canonical SMILES for 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline is c1ccc(-c2nc3ccccc3nc2-c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline?
The InChIKey is IZHJBMDCXJQPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-3-9-21(10-4-1)26-27(29-25-12-6-5-11-24(25)28-26)22-13-15-23(16-14-22)31-20-19-30-17-7-2-8-18-30/h1,3-6,9-16H,2,7-8,17-20H2.
What are the key properties of 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline?
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline has a molecular weight of 409.53 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline is sourced from PubChem (CID 118726432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).