4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide

C22H19N5O3S — CID 122690807

IUPAC4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide
SMILESCc1ccc(C(N)=O)c(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1
InChIInChI=1S/C22H19N5O3S/c1-13-3-4-15(22(23)28)16(9-13)17-10-14(11-18-21(17)26-8-7-25-18)27-19-12-24-6-5-20(19)31(2,29)30/h3-12,27H,1-2H3,(H2,23,28)
InChIKeyWUVCHESSDGWUPP-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.25
Rot. Bonds5

About 4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide

4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide (PubChem CID 122690807) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide.

Molecular Properties

Compound Name4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide
PubChem CID122690807
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC Name4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide
SMILESCc1ccc(C(N)=O)c(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1
InChIInChI=1S/C22H19N5O3S/c1-13-3-4-15(22(23)28)16(9-13)17-10-14(11-18-21(17)26-8-7-25-18)27-19-12-24-6-5-20(19)31(2,29)30/h3-12,27H,1-2H3,(H2,23,28)
InChIKeyWUVCHESSDGWUPP-UHFFFAOYSA-N
XLogP3.25
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
CID 122690803
8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine;8-(3-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
CID 122690794
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide
CID 122690617
methyl 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-4-methylsulfonylbenzoate
CID 122690582
4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920
3-[(8-chloroquinoxalin-6-yl)amino]-4-methylsulfonylbenzonitrile
CID 122690760
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
3-(3,5-dimethylanilino)pyridine-4-carbothioamide
CID 113269508
8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine
CID 145185471
2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide
CID 114195109
2-methyl-5-methylsulfonyl-4-(pyridin-4-ylamino)benzoyl chloride
CID 18930201
4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide
CID 62309061

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide?
The IUPAC name of 4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide (CID 122690807) is 4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide.
What is the SMILES notation for 4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide?
The canonical SMILES for 4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide is Cc1ccc(C(N)=O)c(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1.
What is the InChIKey of 4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide?
The InChIKey is WUVCHESSDGWUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-13-3-4-15(22(23)28)16(9-13)17-10-14(11-18-21(17)26-8-7-25-18)27-19-12-24-6-5-20(19)31(2,29)30/h3-12,27H,1-2H3,(H2,23,28).
What are the key properties of 4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide?
4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide has a molecular weight of 433.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[7-[(4-methylsulfonyl-3-pyridinyl)amino]quinoxalin-5-yl]benzamide is sourced from PubChem (CID 122690807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).