1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide

C18H26N2O4S — CID 91938345

IUPAC1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide
SMILESCCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C18H26N2O4S/c1-4-20-16-8-7-14(10-15(16)18(2,3)11-17(20)21)25(22,23)19-12-13-6-5-9-24-13/h7-8,10,13,19H,4-6,9,11-12H2,1-3H3
InChIKeyDQCIXGWBAQMBNG-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.18
Rot. Bonds5

About 1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide

1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide (PubChem CID 91938345) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide
PubChem CID91938345
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide
SMILESCCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C18H26N2O4S/c1-4-20-16-8-7-14(10-15(16)18(2,3)11-17(20)21)25(22,23)19-12-13-6-5-9-24-13/h7-8,10,13,19H,4-6,9,11-12H2,1-3H3
InChIKeyDQCIXGWBAQMBNG-UHFFFAOYSA-N
XLogP2.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide?
The IUPAC name of 1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide (CID 91938345) is 1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide?
The canonical SMILES for 1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide is CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)NCC3CCCO3)ccc21.
What is the InChIKey of 1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide?
The InChIKey is DQCIXGWBAQMBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-4-20-16-8-7-14(10-15(16)18(2,3)11-17(20)21)25(22,23)19-12-13-6-5-9-24-13/h7-8,10,13,19H,4-6,9,11-12H2,1-3H3.
What are the key properties of 1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide?
1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide has a molecular weight of 366.48 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-dimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-quinoline-6-sulfonamide is sourced from PubChem (CID 91938345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).