1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

C22H18N4O3S — CID 666651

IUPAC1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1cccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)c1
InChIInChI=1S/C22H18N4O3S/c1-14-6-4-8-16(12-14)30(27,28)20-19-22(25-18-10-3-2-9-17(18)24-19)26(21(20)23)13-15-7-5-11-29-15/h2-12H,13,23H2,1H3
InChIKeyLEQDWXWPYOORPT-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.95
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 666651) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID666651
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1cccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)c1
InChIInChI=1S/C22H18N4O3S/c1-14-6-4-8-16(12-14)30(27,28)20-19-22(25-18-10-3-2-9-17(18)24-19)26(21(20)23)13-15-7-5-11-29-15/h2-12H,13,23H2,1H3
InChIKeyLEQDWXWPYOORPT-UHFFFAOYSA-N
XLogP3.95
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide
CID 1902320
6-(Furan-2-yl)-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 2998157
17-(Furan-2-ylmethyl)-13-[(4-methoxyphenyl)methyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 659878
2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1H-imidazo[4,5-b]quinoxaline
CID 662008
N-{2-amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}furan-2-carboxamide
CID 663288
2-amino-1-(2-fluorophenethyl)-N-(furan-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 2009147
N-(2-Furylmethyl)-N-{3-[(4-methylphenyl)sulfonyl]thieno[2,3-E][1,2,3]triazolo[1,5-A]pyrimidin-5-YL}amine
CID 20901125
N-{3-[(3,4-Dimethylphenyl)sulfonyl]thieno[2,3-E][1,2,3]triazolo[1,5-A]pyrimidin-5-YL}-N-(2-furylmethyl)amine
CID 20901136
6-(Furan-2-yl)-9-[(4-methylsulfonylphenyl)methyl]purin-2-amine
CID 44449655
N-(furan-2-ylmethyl)-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 2135179
2-amino-N-(furan-2-ylmethyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 659069
1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 659547

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 666651) is 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is Cc1cccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is LEQDWXWPYOORPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-14-6-4-8-16(12-14)30(27,28)20-19-22(25-18-10-3-2-9-17(18)24-19)26(21(20)23)13-15-7-5-11-29-15/h2-12H,13,23H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 418.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 666651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).