7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline

C16H19N5O2S — CID 169416201

IUPAC7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
SMILESCc1cc(-c2cnn(C)c2)nc2cc(NS(=O)(=O)N(C)C)ccc12
InChIInChI=1S/C16H19N5O2S/c1-11-7-15(12-9-17-21(4)10-12)18-16-8-13(5-6-14(11)16)19-24(22,23)20(2)3/h5-10,19H,1-4H3
InChIKeyCODKXHZYZVSZQB-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.16
Rot. Bonds4

About 7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline

7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline (PubChem CID 169416201) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
PubChem CID169416201
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
SMILESCc1cc(-c2cnn(C)c2)nc2cc(NS(=O)(=O)N(C)C)ccc12
InChIInChI=1S/C16H19N5O2S/c1-11-7-15(12-9-17-21(4)10-12)18-16-8-13(5-6-14(11)16)19-24(22,23)20(2)3/h5-10,19H,1-4H3
InChIKeyCODKXHZYZVSZQB-UHFFFAOYSA-N
XLogP2.16
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole
CID 169414282
7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
CID 169411487
N-[6-methoxy-4-methyl-2-(1-methylpyrazol-4-yl)quinolin-7-yl]acetamide
CID 169414607
13-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 54585111
7-methoxy-N,N-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 46982682
sodium;14-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;hydride
CID 173035496
14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 53310545
2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene
CID 63334388
2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169412361
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide
CID 142256171
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline?
The IUPAC name of 7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline (CID 169416201) is 7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline.
What is the SMILES notation for 7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline?
The canonical SMILES for 7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline is Cc1cc(-c2cnn(C)c2)nc2cc(NS(=O)(=O)N(C)C)ccc12.
What is the InChIKey of 7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline?
The InChIKey is CODKXHZYZVSZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11-7-15(12-9-17-21(4)10-12)18-16-8-13(5-6-14(11)16)19-24(22,23)20(2)3/h5-10,19H,1-4H3.
What are the key properties of 7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline?
7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline has a molecular weight of 345.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline is sourced from PubChem (CID 169416201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).