N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide

C31H22N6O2S — CID 118717144

IUPACN-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1cccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)c1)c1cccc2cccnc12
InChIInChI=1S/C31H22N6O2S/c38-40(39,28-12-3-8-22-9-5-15-32-29(22)28)36-26-11-4-10-25(19-26)34-30-31-35-27(20-37(31)17-16-33-30)24-14-13-21-6-1-2-7-23(21)18-24/h1-20,36H,(H,33,34)
InChIKeyRNPYJFWDESUGBR-UHFFFAOYSA-N
MW542.62 g/mol
LogP6.64
Rot. Bonds6

About N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide

N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide (PubChem CID 118717144) has the molecular formula C31H22N6O2S and a molecular weight of 542.62 g/mol. Its IUPAC name is N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide
PubChem CID118717144
Molecular FormulaC31H22N6O2S
Molecular Weight542.62 g/mol
Exact Mass542.15
IUPAC NameN-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1cccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)c1)c1cccc2cccnc12
InChIInChI=1S/C31H22N6O2S/c38-40(39,28-12-3-8-22-9-5-15-32-29(22)28)36-26-11-4-10-25(19-26)34-30-31-35-27(20-37(31)17-16-33-30)24-14-13-21-6-1-2-7-23(21)18-24/h1-20,36H,(H,33,34)
InChIKeyRNPYJFWDESUGBR-UHFFFAOYSA-N
XLogP6.64
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.62
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide (CID 118717144) is N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide is O=S(=O)(Nc1cccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)c1)c1cccc2cccnc12.
What is the InChIKey of N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide?
The InChIKey is RNPYJFWDESUGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N6O2S/c38-40(39,28-12-3-8-22-9-5-15-32-29(22)28)36-26-11-4-10-25(19-26)34-30-31-35-27(20-37(31)17-16-33-30)24-14-13-21-6-1-2-7-23(21)18-24/h1-20,36H,(H,33,34).
What are the key properties of N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide?
N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide has a molecular weight of 542.62 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 118717144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).