4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide

C18H22N6O2S — CID 52936114

IUPAC4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide
SMILESCNc1ccc2ncnc(Nc3cc(S(=O)(=O)NC)ccc3N(C)C)c2c1
InChIInChI=1S/C18H22N6O2S/c1-19-12-5-7-15-14(9-12)18(22-11-21-15)23-16-10-13(27(25,26)20-2)6-8-17(16)24(3)4/h5-11,19-20H,1-4H3,(H,21,22,23)
InChIKeyHSXXPAFGNVISQH-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.39
Rot. Bonds6

About 4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide

4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide (PubChem CID 52936114) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide
PubChem CID52936114
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide
SMILESCNc1ccc2ncnc(Nc3cc(S(=O)(=O)NC)ccc3N(C)C)c2c1
InChIInChI=1S/C18H22N6O2S/c1-19-12-5-7-15-14(9-12)18(22-11-21-15)23-16-10-13(27(25,26)20-2)6-8-17(16)24(3)4/h5-11,19-20H,1-4H3,(H,21,22,23)
InChIKeyHSXXPAFGNVISQH-UHFFFAOYSA-N
XLogP2.39
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide?
The IUPAC name of 4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide (CID 52936114) is 4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide is CNc1ccc2ncnc(Nc3cc(S(=O)(=O)NC)ccc3N(C)C)c2c1.
What is the InChIKey of 4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide?
The InChIKey is HSXXPAFGNVISQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-19-12-5-7-15-14(9-12)18(22-11-21-15)23-16-10-13(27(25,26)20-2)6-8-17(16)24(3)4/h5-11,19-20H,1-4H3,(H,21,22,23).
What are the key properties of 4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide?
4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 52936114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).