4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide

C23H23N5O2S — CID 67102376

IUPAC4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCN(Cc1ccccc1)Cc1cccc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc12
InChIInChI=1S/C23H23N5O2S/c1-28(15-17-6-3-2-4-7-17)16-19-9-5-8-18-14-25-23(27-22(18)19)26-20-10-12-21(13-11-20)31(24,29)30/h2-14H,15-16H2,1H3,(H2,24,29,30)(H,25,26,27)
InChIKeyWFBCYZGVDJMQPR-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.65
Rot. Bonds7

About 4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide

4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 67102376) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID67102376
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCN(Cc1ccccc1)Cc1cccc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc12
InChIInChI=1S/C23H23N5O2S/c1-28(15-17-6-3-2-4-7-17)16-19-9-5-8-18-14-25-23(27-22(18)19)26-20-10-12-21(13-11-20)31(24,29)30/h2-14H,15-16H2,1H3,(H2,24,29,30)(H,25,26,27)
InChIKeyWFBCYZGVDJMQPR-UHFFFAOYSA-N
XLogP3.65
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

4-[[8-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102137
4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101719
4-[[8-[(2-pyrrolidin-1-ylethylamino)methyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102122
4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67102048
4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide
CID 67102003
4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101985
4-[[8-[2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]acetyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 123140037
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
N,8-bis(4-methylsulfonylphenyl)quinazolin-2-amine
CID 175553544
4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102419
4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101863
4-[[8-[6-[[(2S)-1-ethylpyrrolidin-2-yl]-methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67103476

Frequently Asked Questions

What is the IUPAC name of 4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide (CID 67102376) is 4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide is CN(Cc1ccccc1)Cc1cccc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc12.
What is the InChIKey of 4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is WFBCYZGVDJMQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-28(15-17-6-3-2-4-7-17)16-19-9-5-8-18-14-25-23(27-22(18)19)26-20-10-12-21(13-11-20)31(24,29)30/h2-14H,15-16H2,1H3,(H2,24,29,30)(H,25,26,27).
What are the key properties of 4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide?
4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 433.54 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 67102376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).