N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide

C24H28N6O3S — CID 156635564

IUPACN-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)c(=O)c(-c1cccc(-c3nncn3C(C)C)n1)cn2C(C)C
InChIInChI=1S/C24H28N6O3S/c1-6-34(32,33)28-17-10-11-22-18(12-17)23(31)19(13-29(22)15(2)3)20-8-7-9-21(26-20)24-27-25-14-30(24)16(4)5/h7-16,28H,6H2,1-5H3
InChIKeyRQLMFUQMLDYTLK-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.25
Rot. Bonds7

About N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide

N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide (PubChem CID 156635564) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide
PubChem CID156635564
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC NameN-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)c(=O)c(-c1cccc(-c3nncn3C(C)C)n1)cn2C(C)C
InChIInChI=1S/C24H28N6O3S/c1-6-34(32,33)28-17-10-11-22-18(12-17)23(31)19(13-29(22)15(2)3)20-8-7-9-21(26-20)24-27-25-14-30(24)16(4)5/h7-16,28H,6H2,1-5H3
InChIKeyRQLMFUQMLDYTLK-UHFFFAOYSA-N
XLogP4.25
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide?
The IUPAC name of N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide (CID 156635564) is N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide?
The canonical SMILES for N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)c(=O)c(-c1cccc(-c3nncn3C(C)C)n1)cn2C(C)C.
What is the InChIKey of N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide?
The InChIKey is RQLMFUQMLDYTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-6-34(32,33)28-17-10-11-22-18(12-17)23(31)19(13-29(22)15(2)3)20-8-7-9-21(26-20)24-27-25-14-30(24)16(4)5/h7-16,28H,6H2,1-5H3.
What are the key properties of N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide?
N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide has a molecular weight of 480.59 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide is sourced from PubChem (CID 156635564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).