1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide

C20H21N5O3S — CID 89448556

IUPAC1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
SMILESCN1C(=O)CCc2cc(-c3cncc(CNS(=O)(=O)c4cn(C)cn4)c3)ccc21
InChIInChI=1S/C20H21N5O3S/c1-24-12-19(22-13-24)29(27,28)23-10-14-7-17(11-21-9-14)15-3-5-18-16(8-15)4-6-20(26)25(18)2/h3,5,7-9,11-13,23H,4,6,10H2,1-2H3
InChIKeyRXYOQBQUVVOHFB-UHFFFAOYSA-N
MW411.49 g/mol
LogP1.87
Rot. Bonds5

About 1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide

1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide (PubChem CID 89448556) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
PubChem CID89448556
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
SMILESCN1C(=O)CCc2cc(-c3cncc(CNS(=O)(=O)c4cn(C)cn4)c3)ccc21
InChIInChI=1S/C20H21N5O3S/c1-24-12-19(22-13-24)29(27,28)23-10-14-7-17(11-21-9-14)15-3-5-18-16(8-15)4-6-20(26)25(18)2/h3,5,7-9,11-13,23H,4,6,10H2,1-2H3
InChIKeyRXYOQBQUVVOHFB-UHFFFAOYSA-N
XLogP1.87
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide (CID 89448556) is 1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide is CN1C(=O)CCc2cc(-c3cncc(CNS(=O)(=O)c4cn(C)cn4)c3)ccc21.
What is the InChIKey of 1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide?
The InChIKey is RXYOQBQUVVOHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-24-12-19(22-13-24)29(27,28)23-10-14-7-17(11-21-9-14)15-3-5-18-16(8-15)4-6-20(26)25(18)2/h3,5,7-9,11-13,23H,4,6,10H2,1-2H3.
What are the key properties of 1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide?
1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide has a molecular weight of 411.49 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 89448556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).