N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine

C25H19N5O3S — CID 88900601

IUPACN-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine
SMILESO=S(=O)(c1cccc(NO)c1)N1CN(c2ccc3ccccc3c2)c2nc3ccccc3nc21
InChIInChI=1S/C25H19N5O3S/c31-28-19-8-5-9-21(15-19)34(32,33)30-16-29(20-13-12-17-6-1-2-7-18(17)14-20)24-25(30)27-23-11-4-3-10-22(23)26-24/h1-15,28,31H,16H2
InChIKeyHKPMXSXWPWZNGJ-UHFFFAOYSA-N
MW469.53 g/mol
LogP4.89
Rot. Bonds4

About N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine

N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine (PubChem CID 88900601) has the molecular formula C25H19N5O3S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine
PubChem CID88900601
Molecular FormulaC25H19N5O3S
Molecular Weight469.53 g/mol
Exact Mass469.12
IUPAC NameN-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine
SMILESO=S(=O)(c1cccc(NO)c1)N1CN(c2ccc3ccccc3c2)c2nc3ccccc3nc21
InChIInChI=1S/C25H19N5O3S/c31-28-19-8-5-9-21(15-19)34(32,33)30-16-29(20-13-12-17-6-1-2-7-18(17)14-20)24-25(30)27-23-11-4-3-10-22(23)26-24/h1-15,28,31H,16H2
InChIKeyHKPMXSXWPWZNGJ-UHFFFAOYSA-N
XLogP4.89
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine?
The IUPAC name of N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine (CID 88900601) is N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine.
What is the SMILES notation for N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine?
The canonical SMILES for N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine is O=S(=O)(c1cccc(NO)c1)N1CN(c2ccc3ccccc3c2)c2nc3ccccc3nc21.
What is the InChIKey of N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine?
The InChIKey is HKPMXSXWPWZNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3S/c31-28-19-8-5-9-21(15-19)34(32,33)30-16-29(20-13-12-17-6-1-2-7-18(17)14-20)24-25(30)27-23-11-4-3-10-22(23)26-24/h1-15,28,31H,16H2.
What are the key properties of N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine?
N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine has a molecular weight of 469.53 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine is sourced from PubChem (CID 88900601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).