4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride

C24H33ClN6O4S — CID 67167581

IUPAC4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)c1.Cl
InChIInChI=1S/C24H32N6O4S.ClH/c1-25-35(31,32)19-6-8-23(29(2)3)22(16-19)28-24-20-7-5-18(15-21(20)26-17-27-24)34-12-4-9-30-10-13-33-14-11-30;/h5-8,15-17,25H,4,9-14H2,1-3H3,(H,26,27,28);1H
InChIKeyXGFIHOJEQCXAQE-UHFFFAOYSA-N
MW537.09 g/mol
LogP2.87
Rot. Bonds10

About 4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride

4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride (PubChem CID 67167581) has the molecular formula C24H33ClN6O4S and a molecular weight of 537.09 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride
PubChem CID67167581
Molecular FormulaC24H33ClN6O4S
Molecular Weight537.09 g/mol
Exact Mass536.20
IUPAC Name4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)c1.Cl
InChIInChI=1S/C24H32N6O4S.ClH/c1-25-35(31,32)19-6-8-23(29(2)3)22(16-19)28-24-20-7-5-18(15-21(20)26-17-27-24)34-12-4-9-30-10-13-33-14-11-30;/h5-8,15-17,25H,4,9-14H2,1-3H3,(H,26,27,28);1H
InChIKeyXGFIHOJEQCXAQE-UHFFFAOYSA-N
XLogP2.87
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.09
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride (CID 67167581) is 4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride is CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)c1.Cl.
What is the InChIKey of 4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride?
The InChIKey is XGFIHOJEQCXAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4S.ClH/c1-25-35(31,32)19-6-8-23(29(2)3)22(16-19)28-24-20-7-5-18(15-21(20)26-17-27-24)34-12-4-9-30-10-13-33-14-11-30;/h5-8,15-17,25H,4,9-14H2,1-3H3,(H,26,27,28);1H.
What are the key properties of 4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride?
4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride has a molecular weight of 537.09 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 67167581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).