8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine

C24H22N4O3S — CID 122690795

IUPAC8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCC1(C)COc2ccc(-c3cc(Nc4cnccc4S(C)(=O)=O)cc4nccnc34)cc21
InChIInChI=1S/C24H22N4O3S/c1-24(2)14-31-21-5-4-15(10-18(21)24)17-11-16(12-19-23(17)27-9-8-26-19)28-20-13-25-7-6-22(20)32(3,29)30/h4-13,28H,14H2,1-3H3
InChIKeyFXELCMPHWBJBCW-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.51
Rot. Bonds4

About 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine

8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (PubChem CID 122690795) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
PubChem CID122690795
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCC1(C)COc2ccc(-c3cc(Nc4cnccc4S(C)(=O)=O)cc4nccnc34)cc21
InChIInChI=1S/C24H22N4O3S/c1-24(2)14-31-21-5-4-15(10-18(21)24)17-11-16(12-19-23(17)27-9-8-26-19)28-20-13-25-7-6-22(20)32(3,29)30/h4-13,28H,14H2,1-3H3
InChIKeyFXELCMPHWBJBCW-UHFFFAOYSA-N
XLogP4.51
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine with MolForge

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Related Compounds

8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
CID 122690650
N-(4-methylsulfonylpyridin-3-yl)-8-[3-(trifluoromethoxy)phenyl]quinoxalin-6-amine
CID 122690854
N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine
CID 122690580
3-N-[8-(3-methyl-1-benzofuran-5-yl)quinoxalin-6-yl]-4-methylsulfonylbenzene-1,3-diamine
CID 122690581
8-[3-(chloromethyl)-1-benzofuran-5-yl]-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
CID 122690640
8-(3-methyl-1-benzofuran-5-yl)-N-(2-methylsulfonyl-5-nitrophenyl)quinoxalin-6-amine
CID 122690675
8-(3-methyl-1-benzofuran-5-yl)-N-(4-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)quinoxalin-6-amine
CID 122690691
8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
CID 122690701
8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
CID 122690716
8-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
CID 122690725
8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
CID 122690729
8-(3-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
CID 122690748

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The IUPAC name of 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (CID 122690795) is 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The canonical SMILES for 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is CC1(C)COc2ccc(-c3cc(Nc4cnccc4S(C)(=O)=O)cc4nccnc34)cc21.
What is the InChIKey of 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The InChIKey is FXELCMPHWBJBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-24(2)14-31-21-5-4-15(10-18(21)24)17-11-16(12-19-23(17)27-9-8-26-19)28-20-13-25-7-6-22(20)32(3,29)30/h4-13,28H,14H2,1-3H3.
What are the key properties of 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine has a molecular weight of 446.53 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is sourced from PubChem (CID 122690795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).