6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline

C17H20N4O3S — CID 68915965

IUPAC6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline
SMILESCc1ccc(CNc2ccc3cc(NS(=O)(=O)N(C)C)ccc3n2)o1
InChIInChI=1S/C17H20N4O3S/c1-12-4-7-15(24-12)11-18-17-9-5-13-10-14(6-8-16(13)19-17)20-25(22,23)21(2)3/h4-10,20H,11H2,1-3H3,(H,18,19)
InChIKeyDDPVIUVQZDDWTP-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.97
Rot. Bonds6

About 6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline

6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline (PubChem CID 68915965) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline.

Molecular Properties

Compound Name6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline
PubChem CID68915965
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline
SMILESCc1ccc(CNc2ccc3cc(NS(=O)(=O)N(C)C)ccc3n2)o1
InChIInChI=1S/C17H20N4O3S/c1-12-4-7-15(24-12)11-18-17-9-5-13-10-14(6-8-16(13)19-17)20-25(22,23)21(2)3/h4-10,20H,11H2,1-3H3,(H,18,19)
InChIKeyDDPVIUVQZDDWTP-UHFFFAOYSA-N
XLogP2.97
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline?
The IUPAC name of 6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline (CID 68915965) is 6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline.
What is the SMILES notation for 6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline?
The canonical SMILES for 6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline is Cc1ccc(CNc2ccc3cc(NS(=O)(=O)N(C)C)ccc3n2)o1.
What is the InChIKey of 6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline?
The InChIKey is DDPVIUVQZDDWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-12-4-7-15(24-12)11-18-17-9-5-13-10-14(6-8-16(13)19-17)20-25(22,23)21(2)3/h4-10,20H,11H2,1-3H3,(H,18,19).
What are the key properties of 6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline?
6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline has a molecular weight of 360.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylsulfamoylamino)-2-[(5-methylfuran-2-yl)methylamino]quinoline is sourced from PubChem (CID 68915965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).