2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C24H19FN6O3S — CID 2019421

IUPAC2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H19FN6O3S/c25-15-7-5-14(6-8-15)13-28-24(32)20-21-23(30-19-4-2-1-3-18(19)29-21)31(22(20)26)16-9-11-17(12-10-16)35(27,33)34/h1-12H,13,26H2,(H,28,32)(H2,27,33,34)
InChIKeyKRHKPFDBSTVJOH-UHFFFAOYSA-N
MW490.52 g/mol
LogP2.87
Rot. Bonds5

About 2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 2019421) has the molecular formula C24H19FN6O3S and a molecular weight of 490.52 g/mol. Its IUPAC name is 2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID2019421
Molecular FormulaC24H19FN6O3S
Molecular Weight490.52 g/mol
Exact Mass490.12
IUPAC Name2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H19FN6O3S/c25-15-7-5-14(6-8-15)13-28-24(32)20-21-23(30-19-4-2-1-3-18(19)29-21)31(22(20)26)16-9-11-17(12-10-16)35(27,33)34/h1-12H,13,26H2,(H,28,32)(H2,27,33,34)
InChIKeyKRHKPFDBSTVJOH-UHFFFAOYSA-N
XLogP2.87
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2025838
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-[2-amino-3-[2-(4-fluorophenyl)ethylamino]-5-oxopyrrolo[2,3-b][1,4]benzodiazepin-1-yl]benzenesulfonamide
CID 25035253
2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6881205
2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-(3-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6880835
N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 4203658
2-amino-1-(4-bromophenyl)-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2022990
2-amino-1-(4-butan-2-ylphenyl)-N-propylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 16957072
octyl 2-amino-1-(4-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3714120
2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide
CID 2322043
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 2019421) is 2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is KRHKPFDBSTVJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O3S/c25-15-7-5-14(6-8-15)13-28-24(32)20-21-23(30-19-4-2-1-3-18(19)29-21)31(22(20)26)16-9-11-17(12-10-16)35(27,33)34/h1-12H,13,26H2,(H,28,32)(H2,27,33,34).
What are the key properties of 2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 490.52 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 2019421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).