6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline

C16H23N5O4S — CID 167049154

IUPAC6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCC(N(C)S(N)(=O)=O)CC3)c2cc1OC
InChIInChI=1S/C16H23N5O4S/c1-20(26(17,22)23)11-4-6-21(7-5-11)16-12-8-14(24-2)15(25-3)9-13(12)18-10-19-16/h8-11H,4-7H2,1-3H3,(H2,17,22,23)
InChIKeyUQNFZLFUVMRRES-UHFFFAOYSA-N
MW381.46 g/mol
LogP0.75
Rot. Bonds5

About 6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline

6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline (PubChem CID 167049154) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
PubChem CID167049154
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCC(N(C)S(N)(=O)=O)CC3)c2cc1OC
InChIInChI=1S/C16H23N5O4S/c1-20(26(17,22)23)11-4-6-21(7-5-11)16-12-8-14(24-2)15(25-3)9-13(12)18-10-19-16/h8-11H,4-7H2,1-3H3,(H2,17,22,23)
InChIKeyUQNFZLFUVMRRES-UHFFFAOYSA-N
XLogP0.75
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate
CID 155125456
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
4-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-6,7-dimethoxyquinazoline
CID 154582894
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
CID 155128602
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882059
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline (CID 167049154) is 6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline is COc1cc2ncnc(N3CCC(N(C)S(N)(=O)=O)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline?
The InChIKey is UQNFZLFUVMRRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-20(26(17,22)23)11-4-6-21(7-5-11)16-12-8-14(24-2)15(25-3)9-13(12)18-10-19-16/h8-11H,4-7H2,1-3H3,(H2,17,22,23).
What are the key properties of 6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline?
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline has a molecular weight of 381.46 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline is sourced from PubChem (CID 167049154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).