4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride

C15H20ClF2N5O4S — CID 156824086

IUPAC4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride
SMILESCOc1cc2ncnc(N3CCN(S(N)(=O)=O)CC(F)(F)C3)c2cc1OC.Cl
InChIInChI=1S/C15H19F2N5O4S.ClH/c1-25-12-5-10-11(6-13(12)26-2)19-9-20-14(10)21-3-4-22(27(18,23)24)8-15(16,17)7-21;/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,23,24);1H
InChIKeyWDUQBMMIRNWRIX-UHFFFAOYSA-N
MW439.87 g/mol
LogP1.03
Rot. Bonds4

About 4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride

4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride (PubChem CID 156824086) has the molecular formula C15H20ClF2N5O4S and a molecular weight of 439.87 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride
PubChem CID156824086
Molecular FormulaC15H20ClF2N5O4S
Molecular Weight439.87 g/mol
Exact Mass439.09
IUPAC Name4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride
SMILESCOc1cc2ncnc(N3CCN(S(N)(=O)=O)CC(F)(F)C3)c2cc1OC.Cl
InChIInChI=1S/C15H19F2N5O4S.ClH/c1-25-12-5-10-11(6-13(12)26-2)19-9-20-14(10)21-3-4-22(27(18,23)24)8-15(16,17)7-21;/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,23,24);1H
InChIKeyWDUQBMMIRNWRIX-UHFFFAOYSA-N
XLogP1.03
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride with MolForge

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Related Compounds

6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
4-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-6,7-dimethoxyquinazoline
CID 154582894
methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate;hydrochloride
CID 156824065
6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride
CID 166693156
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
6,7-dimethoxy-4-[4-[3-(sulfamoylamino)propyl]-1,4-diazepan-1-yl]quinazoline
CID 166712968
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
methyl 6-methoxy-4-(4-sulfamoyl-1,4-diazepan-1-yl)quinazoline-7-carboxylate
CID 156824066
[8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 166561976
2-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethylsulfamic acid;hydrochloride
CID 166071329
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride?
The IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride (CID 156824086) is 4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride is COc1cc2ncnc(N3CCN(S(N)(=O)=O)CC(F)(F)C3)c2cc1OC.Cl.
What is the InChIKey of 4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride?
The InChIKey is WDUQBMMIRNWRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O4S.ClH/c1-25-12-5-10-11(6-13(12)26-2)19-9-20-14(10)21-3-4-22(27(18,23)24)8-15(16,17)7-21;/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,23,24);1H.
What are the key properties of 4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride?
4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride has a molecular weight of 439.87 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 156824086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).