N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C17H22N4O3S — CID 86912091

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C17H22N4O3S/c1-19(11-13-10-18-20(2)12-13)17(22)15-6-7-16-14(9-15)5-4-8-21(16)25(3,23)24/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyWGXAPDOALAGEJT-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.40
Rot. Bonds4

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 86912091) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID86912091
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C17H22N4O3S/c1-19(11-13-10-18-20(2)12-13)17(22)15-6-7-16-14(9-15)5-4-8-21(16)25(3,23)24/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyWGXAPDOALAGEJT-UHFFFAOYSA-N
XLogP1.40
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 43017160
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60937956
(2S)-2-methyl-3-[methyl-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoic acid
CID 125145565
N-[(4-cyanophenyl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 39859947
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25471969
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31151601
N-[(4-cyanophenyl)methyl]-1-methylsulfonyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78853351
N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86906799
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 55995746

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 86912091) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is WGXAPDOALAGEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-19(11-13-10-18-20(2)12-13)17(22)15-6-7-16-14(9-15)5-4-8-21(16)25(3,23)24/h6-7,9-10,12H,4-5,8,11H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 86912091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).