8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine

C22H18N4O4S — CID 122690725

IUPAC8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCS(=O)(=O)c1ccncc1-c1cnc2cc(N)cc(-c3ccc4c(c3)OCCO4)c2n1
InChIInChI=1S/C22H18N4O4S/c1-31(27,28)21-4-5-24-11-16(21)18-12-25-17-10-14(23)9-15(22(17)26-18)13-2-3-19-20(8-13)30-7-6-29-19/h2-5,8-12H,6-7,23H2,1H3
InChIKeyINXLRHFXGBMRLW-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.12
Rot. Bonds3

About 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine

8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (PubChem CID 122690725) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
PubChem CID122690725
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC Name8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCS(=O)(=O)c1ccncc1-c1cnc2cc(N)cc(-c3ccc4c(c3)OCCO4)c2n1
InChIInChI=1S/C22H18N4O4S/c1-31(27,28)21-4-5-24-11-16(21)18-12-25-17-10-14(23)9-15(22(17)26-18)13-2-3-19-20(8-13)30-7-6-29-19/h2-5,8-12H,6-7,23H2,1H3
InChIKeyINXLRHFXGBMRLW-UHFFFAOYSA-N
XLogP3.12
TPSA117.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine with MolForge

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Related Compounds

4-[[2,6-Difluoro-4-[3-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 59392765
1-Ethyl-6,7-dimethoxy-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline
CID 74539870
6,7-Dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline
CID 74539871
6,7-Dimethoxy-1-methyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline
CID 90117658
7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine
CID 164620647
N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]methanesulfonamide
CID 74539756
N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide
CID 74539758
1-[8-(benzenesulfonyl)-2H,3H-[1,4]dioxino[2,3-g]quinolin-9-yl]piperidine
CID 5640096
4-[[2,6-Difluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 59392710
4-[[2-Fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 59392722
4-[[2-Fluoro-4-[3-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 59392848
N-(4-methylsulfonylpyridin-3-yl)-8-[3-(trifluoromethoxy)phenyl]quinoxalin-6-amine
CID 122690854

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (CID 122690725) is 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The canonical SMILES for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is CS(=O)(=O)c1ccncc1-c1cnc2cc(N)cc(-c3ccc4c(c3)OCCO4)c2n1.
What is the InChIKey of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The InChIKey is INXLRHFXGBMRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S/c1-31(27,28)21-4-5-24-11-16(21)18-12-25-17-10-14(23)9-15(22(17)26-18)13-2-3-19-20(8-13)30-7-6-29-19/h2-5,8-12H,6-7,23H2,1H3.
What are the key properties of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine has a molecular weight of 434.48 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is sourced from PubChem (CID 122690725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).