7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline

C47H48N6O — CID 67035759

IUPAC7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline
SMILESCC(C)c1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1.c1ccc(Oc2ccccc2-c2ccc3ncc(N4CCCCC4)nc3c2)cc1
InChIInChI=1S/C25H23N3O.C22H25N3/c1-3-9-20(10-4-1)29-24-12-6-5-11-21(24)19-13-14-22-23(17-19)27-25(18-26-22)28-15-7-2-8-16-28;1-16(2)17-7-6-8-18(13-17)19-9-10-20-21(14-19)24-22(15-23-20)25-11-4-3-5-12-25/h1,3-6,9-14,17-18H,2,7-8,15-16H2;6-10,13-16H,3-5,11-12H2,1-2H3
InChIKeyKUWIKKARTXFUBW-UHFFFAOYSA-N
MW712.94 g/mol
LogP11.49
Rot. Bonds7

About 7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline

7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline (PubChem CID 67035759) has the molecular formula C47H48N6O and a molecular weight of 712.94 g/mol. Its IUPAC name is 7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline.

Molecular Properties

Compound Name7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline
PubChem CID67035759
Molecular FormulaC47H48N6O
Molecular Weight712.94 g/mol
Exact Mass712.39
IUPAC Name7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline
SMILESCC(C)c1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1.c1ccc(Oc2ccccc2-c2ccc3ncc(N4CCCCC4)nc3c2)cc1
InChIInChI=1S/C25H23N3O.C22H25N3/c1-3-9-20(10-4-1)29-24-12-6-5-11-21(24)19-13-14-22-23(17-19)27-25(18-26-22)28-15-7-2-8-16-28;1-16(2)17-7-6-8-18(13-17)19-9-10-20-21(14-19)24-22(15-23-20)25-11-4-3-5-12-25/h1,3-6,9-14,17-18H,2,7-8,15-16H2;6-10,13-16H,3-5,11-12H2,1-2H3
InChIKeyKUWIKKARTXFUBW-UHFFFAOYSA-N
XLogP11.49
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.94
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline?
The IUPAC name of 7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline (CID 67035759) is 7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline.
What is the SMILES notation for 7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline?
The canonical SMILES for 7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline is CC(C)c1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1.c1ccc(Oc2ccccc2-c2ccc3ncc(N4CCCCC4)nc3c2)cc1.
What is the InChIKey of 7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline?
The InChIKey is KUWIKKARTXFUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O.C22H25N3/c1-3-9-20(10-4-1)29-24-12-6-5-11-21(24)19-13-14-22-23(17-19)27-25(18-26-22)28-15-7-2-8-16-28;1-16(2)17-7-6-8-18(13-17)19-9-10-20-21(14-19)24-22(15-23-20)25-11-4-3-5-12-25/h1,3-6,9-14,17-18H,2,7-8,15-16H2;6-10,13-16H,3-5,11-12H2,1-2H3.
What are the key properties of 7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline?
7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline has a molecular weight of 712.94 g/mol, XLogP of 11.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline is sourced from PubChem (CID 67035759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).