N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide

C31H22N6O2S — CID 118717143

IUPACN-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)cc1)c1cccc2cccnc12
InChIInChI=1S/C31H22N6O2S/c38-40(39,28-9-3-7-22-8-4-16-32-29(22)28)36-26-14-12-25(13-15-26)34-30-31-35-27(20-37(31)18-17-33-30)24-11-10-21-5-1-2-6-23(21)19-24/h1-20,36H,(H,33,34)
InChIKeySUXCZMDOKGMTJN-UHFFFAOYSA-N
MW542.62 g/mol
LogP6.64
Rot. Bonds6

About N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide

N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide (PubChem CID 118717143) has the molecular formula C31H22N6O2S and a molecular weight of 542.62 g/mol. Its IUPAC name is N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide
PubChem CID118717143
Molecular FormulaC31H22N6O2S
Molecular Weight542.62 g/mol
Exact Mass542.15
IUPAC NameN-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)cc1)c1cccc2cccnc12
InChIInChI=1S/C31H22N6O2S/c38-40(39,28-9-3-7-22-8-4-16-32-29(22)28)36-26-14-12-25(13-15-26)34-30-31-35-27(20-37(31)18-17-33-30)24-11-10-21-5-1-2-6-23(21)19-24/h1-20,36H,(H,33,34)
InChIKeySUXCZMDOKGMTJN-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

Analyze N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide (CID 118717143) is N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide is O=S(=O)(Nc1ccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)cc1)c1cccc2cccnc12.
What is the InChIKey of N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide?
The InChIKey is SUXCZMDOKGMTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N6O2S/c38-40(39,28-9-3-7-22-8-4-16-32-29(22)28)36-26-14-12-25(13-15-26)34-30-31-35-27(20-37(31)18-17-33-30)24-11-10-21-5-1-2-6-23(21)19-24/h1-20,36H,(H,33,34).
What are the key properties of N-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide?
N-[4-[(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-[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 118717143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).